AD61948
194804-85-8 | 4-Amino-2,3-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD61948
ChemicalName
4-Amino-2,3-difluorobenzoic acid
CasNumber
194804-85-8
MolecularFormula
C7H5F2NO2
MolecularWeight
173.1169
MdlNumber
MFCD04114097
Smiles
OC(=O)c1ccc(c(c1F)F)N
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AD61948
ChemicalName: 4-Amino-2,3-difluorobenzoic acid
CasNumber: 194804-85-8
MolecularFormula: C7H5F2NO2
MolecularWeight: 173.1169
MdlNumber: MFCD04114097
Smiles: OC(=O)c1ccc(c(c1F)F)N
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AD61948
ChemicalName:
4-Amino-2,3-difluorobenzoic acid
CasNumber:
194804-85-8
MolecularFormula:
C7H5F2NO2
MolecularWeight:
173.1169
MdlNumber:
MFCD04114097
Smiles:
OC(=O)c1ccc(c(c1F)F)N
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)CN[C@@H]2C)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)CN[C@@H]2C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccccc1C1=NCc2n(-c3c1cccc3)cnc2C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccccc1C1=NCc2n(-c3c1cccc3)cnc2C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD61964
ChemicalName: Methyl 1H-1,2,3-benzotriazole-5-carboxylate
CasNumber: 113053-50-2
MolecularFormula: C8H7N3O2
MolecularWeight: 177.16007999999997
MdlNumber: MFCD00174276
Smiles: COC(=O)c1ccc2c(c1)nn[nH]2
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AD61964
ChemicalName:
Methyl 1H-1,2,3-benzotriazole-5-carboxylate
CasNumber:
113053-50-2
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.16007999999997
MdlNumber:
MFCD00174276
Smiles:
COC(=O)c1ccc2c(c1)nn[nH]2
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9