AA27266
1238694-75-1 | 2-Chloro-4-(3-trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA27266
ChemicalName
2-Chloro-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber
1238694-75-1
MolecularFormula
C14H8ClF3O2
MolecularWeight
300.6603
MdlNumber
MFCD18321768
Smiles
OC(=O)c1ccc(cc1Cl)c1cccc(c1)C(F)(F)F
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.6
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CatalogNumber: AA27266
ChemicalName: 2-Chloro-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber: 1238694-75-1
MolecularFormula: C14H8ClF3O2
MolecularWeight: 300.6603
MdlNumber: MFCD18321768
Smiles: OC(=O)c1ccc(cc1Cl)c1cccc(c1)C(F)(F)F
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.6
CatalogNumber:
AA27266
ChemicalName:
2-Chloro-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber:
1238694-75-1
MolecularFormula:
C14H8ClF3O2
MolecularWeight:
300.6603
MdlNumber:
MFCD18321768
Smiles:
OC(=O)c1ccc(cc1Cl)c1cccc(c1)C(F)(F)F
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.6
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=Cc1cccn1S(=O)(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
O=Cc1cccn1S(=O)(=O)C
Complexity:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: NCC1CCOc2c1cc(OC)c(c2)OC
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Smiles:
NCC1CCOc2c1cc(OC)c(c2)OC
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)[C@H](C(C)C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C)C)C(C)C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)[C@H](C(C)C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C)C)C(C)C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__