AA36462
1261969-57-6 | 3-Fluoro-4-(4-formylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36462
ChemicalName
3-Fluoro-4-(4-formylphenyl)benzoic acid
CasNumber
1261969-57-6
MolecularFormula
C14H9FO3
MolecularWeight
244.2179
MdlNumber
MFCD18319243
Smiles
O=Cc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AA36462
ChemicalName: 3-Fluoro-4-(4-formylphenyl)benzoic acid
CasNumber: 1261969-57-6
MolecularFormula: C14H9FO3
MolecularWeight: 244.2179
MdlNumber: MFCD18319243
Smiles: O=Cc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA36462
ChemicalName:
3-Fluoro-4-(4-formylphenyl)benzoic acid
CasNumber:
1261969-57-6
MolecularFormula:
C14H9FO3
MolecularWeight:
244.2179
MdlNumber:
MFCD18319243
Smiles:
O=Cc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
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MolecularFormula: __
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Smiles: N#Cc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOc1cc(Br)ccc1C(=O)NC(C)(C)C
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Smiles:
CCOc1cc(Br)ccc1C(=O)NC(C)(C)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(NC(C)(C)C)c(cc1Br)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(NC(C)(C)C)c(cc1Br)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__