AF34074
307989-56-6 | 5-Amino-2-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF34074
ChemicalName
5-Amino-2-(trifluoromethoxy)benzoic acid
CasNumber
307989-56-6
MolecularFormula
C8H6F3NO3
MolecularWeight
221.1333496
MdlNumber
MFCD15527344
Smiles
Nc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AF34074
ChemicalName: 5-Amino-2-(trifluoromethoxy)benzoic acid
CasNumber: 307989-56-6
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.1333496
MdlNumber: MFCD15527344
Smiles: Nc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AF34074
ChemicalName:
5-Amino-2-(trifluoromethoxy)benzoic acid
CasNumber:
307989-56-6
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.1333496
MdlNumber:
MFCD15527344
Smiles:
Nc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: C=CCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C=CCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N[C@@](C(=O)O)(Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(N[C@@](C(=O)O)(Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CC1=CC=C(C=C1)I)(C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC1=CC=C(C=C1)I)(C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__