AB66449
195457-70-6 | 4-(3-Trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66449
ChemicalName
4-(3-Trifluoromethylphenyl)benzoic acid
CasNumber
195457-70-6
MolecularFormula
C14H9F3O2
MolecularWeight
266.2153
MdlNumber
MFCD03424607
Smiles
OC(=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.7
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CatalogNumber: AB66449
ChemicalName: 4-(3-Trifluoromethylphenyl)benzoic acid
CasNumber: 195457-70-6
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD03424607
Smiles: OC(=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.7
CatalogNumber:
AB66449
ChemicalName:
4-(3-Trifluoromethylphenyl)benzoic acid
CasNumber:
195457-70-6
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD03424607
Smiles:
OC(=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.7
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Smiles: OC(=O)CCCc1ccc(cc1)C(=O)c1ccccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)CCCc1ccc(cc1)C(=O)c1ccccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Clc1ccccc1c1cnn(c1)C1CCNCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccccc1c1cnn(c1)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1cnn(c1)C1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1cnn(c1)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__