AE36688
130340-04-4 | Trans-2-fluorocyclopropanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE36688
ChemicalName
Trans-2-fluorocyclopropanecarboxylic acid
CasNumber
130340-04-4
MolecularFormula
C8H10F2O4
MolecularWeight
208.1594
MdlNumber
MFCD11499062
Smiles
OC(=O)[C@H]1C[C@@H]1F.OC(=O)[C@@H]1C[C@H]1F
Complexity
102
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AE36688
ChemicalName: Trans-2-fluorocyclopropanecarboxylic acid
CasNumber: 130340-04-4
MolecularFormula: C8H10F2O4
MolecularWeight: 208.1594
MdlNumber: MFCD11499062
Smiles: OC(=O)[C@H]1C[C@@H]1F.OC(=O)[C@@H]1C[C@H]1F
Complexity: 102
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AE36688
ChemicalName:
Trans-2-fluorocyclopropanecarboxylic acid
CasNumber:
130340-04-4
MolecularFormula:
C8H10F2O4
MolecularWeight:
208.1594
MdlNumber:
MFCD11499062
Smiles:
OC(=O)[C@H]1C[C@@H]1F.OC(=O)[C@@H]1C[C@H]1F
Complexity:
102
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
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Smiles: COC(=O)NC(C(=O)N1CCCC1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C
Complexity: __
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Smiles:
COC(=O)NC(C(=O)N1CCCC1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O[C@H]1[C@@H]2O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]([C@@H]1O)O[C@@H]2CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]5O)CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]4O)CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]3O)CO[Si](C(C)(C)C)(C)C
Complexity: __
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Smiles:
O[C@H]1[C@@H]2O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]([C@@H]1O)O[C@@H]2CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]5O)CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]4O)CO[Si](C(C)(C)C)(C)C)[C@H](O)[C@H]3O)CO[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: __
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Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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