AB48082
83265-53-6 | 2-Amino-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48082
ChemicalName
2-Amino-5-(trifluoromethyl)benzoic acid
CasNumber
83265-53-6
MolecularFormula
C8H6F3NO2
MolecularWeight
205.1339
MdlNumber
MFCD01569537
Smiles
OC(=O)c1cc(ccc1N)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AB48082
ChemicalName: 2-Amino-5-(trifluoromethyl)benzoic acid
CasNumber: 83265-53-6
MolecularFormula: C8H6F3NO2
MolecularWeight: 205.1339
MdlNumber: MFCD01569537
Smiles: OC(=O)c1cc(ccc1N)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB48082
ChemicalName:
2-Amino-5-(trifluoromethyl)benzoic acid
CasNumber:
83265-53-6
MolecularFormula:
C8H6F3NO2
MolecularWeight:
205.1339
MdlNumber:
MFCD01569537
Smiles:
OC(=O)c1cc(ccc1N)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)CC(=O)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 668
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CC(=O)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
668
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity: 580
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity:
580
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AB48085
ChemicalName: 4-Fluoro-3-formylbenzoic acid
CasNumber: 845885-90-7
MolecularFormula: C8H5FO3
MolecularWeight: 168.1219
MdlNumber: MFCD06411555
Smiles: O=Cc1cc(ccc1F)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB48085
ChemicalName:
4-Fluoro-3-formylbenzoic acid
CasNumber:
845885-90-7
MolecularFormula:
C8H5FO3
MolecularWeight:
168.1219
MdlNumber:
MFCD06411555
Smiles:
O=Cc1cc(ccc1F)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1