AA67215
141179-72-8 | 4-Fluoro-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA67215
ChemicalName
4-Fluoro-2-(trifluoromethyl)benzoic acid
CasNumber
141179-72-8
MolecularFormula
C8H4F4O2
MolecularWeight
208.1098
MdlNumber
MFCD00040982
Smiles
Fc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AA67215
ChemicalName: 4-Fluoro-2-(trifluoromethyl)benzoic acid
CasNumber: 141179-72-8
MolecularFormula: C8H4F4O2
MolecularWeight: 208.1098
MdlNumber: MFCD00040982
Smiles: Fc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA67215
ChemicalName:
4-Fluoro-2-(trifluoromethyl)benzoic acid
CasNumber:
141179-72-8
MolecularFormula:
C8H4F4O2
MolecularWeight:
208.1098
MdlNumber:
MFCD00040982
Smiles:
Fc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
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Smiles: CC[C@H](c1ccccc1)NC(=O)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC[C@H](c1ccccc1)NC(=O)OC
Complexity:
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RotatableBondCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CO/C=C(c1ccccc1Oc1nc[nH]c(=O)c1)/C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO/C=C(c1ccccc1Oc1nc[nH]c(=O)c1)/C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__