AA80543
158580-94-0 | 2-Amino-3,4-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA80543
ChemicalName
2-Amino-3,4-difluorobenzoic acid
CasNumber
158580-94-0
MolecularFormula
C7H5F2NO2
MolecularWeight
173.1169
MdlNumber
MFCD09743511
Smiles
OC(=O)c1ccc(c(c1N)F)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AA80543
ChemicalName: 2-Amino-3,4-difluorobenzoic acid
CasNumber: 158580-94-0
MolecularFormula: C7H5F2NO2
MolecularWeight: 173.1169
MdlNumber: MFCD09743511
Smiles: OC(=O)c1ccc(c(c1N)F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA80543
ChemicalName:
2-Amino-3,4-difluorobenzoic acid
CasNumber:
158580-94-0
MolecularFormula:
C7H5F2NO2
MolecularWeight:
173.1169
MdlNumber:
MFCD09743511
Smiles:
OC(=O)c1ccc(c(c1N)F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AA80544
ChemicalName: 3-Chloro-4-(trifluoromethoxy)benzoic acid
CasNumber: 158580-93-9
MolecularFormula: C8H4ClF3O3
MolecularWeight: 240.5638
MdlNumber: MFCD01631556
Smiles: Clc1cc(ccc1OC(F)(F)F)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AA80544
ChemicalName:
3-Chloro-4-(trifluoromethoxy)benzoic acid
CasNumber:
158580-93-9
MolecularFormula:
C8H4ClF3O3
MolecularWeight:
240.5638
MdlNumber:
MFCD01631556
Smiles:
Clc1cc(ccc1OC(F)(F)F)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: AA80545
ChemicalName: Methyl 4-bromo-2-nitrobenzoate
CasNumber: 158580-57-5
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD10699645
Smiles: COC(=O)c1ccc(cc1[N+](=O)[O-])Br
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA80545
ChemicalName:
Methyl 4-bromo-2-nitrobenzoate
CasNumber:
158580-57-5
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD10699645
Smiles:
COC(=O)c1ccc(cc1[N+](=O)[O-])Br
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)NS(=O)(=O)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)NS(=O)(=O)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__