AB28211
259269-84-6 | 2-Amino-3-bromo-5-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB28211
ChemicalName
2-Amino-3-bromo-5-fluorobenzoic acid
CasNumber
259269-84-6
MolecularFormula
C7H5BrFNO2
MolecularWeight
234.0225
MdlNumber
MFCD00662509
Smiles
Fc1cc(Br)c(c(c1)C(=O)O)N
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AB28211
ChemicalName: 2-Amino-3-bromo-5-fluorobenzoic acid
CasNumber: 259269-84-6
MolecularFormula: C7H5BrFNO2
MolecularWeight: 234.0225
MdlNumber: MFCD00662509
Smiles: Fc1cc(Br)c(c(c1)C(=O)O)N
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB28211
ChemicalName:
2-Amino-3-bromo-5-fluorobenzoic acid
CasNumber:
259269-84-6
MolecularFormula:
C7H5BrFNO2
MolecularWeight:
234.0225
MdlNumber:
MFCD00662509
Smiles:
Fc1cc(Br)c(c(c1)C(=O)O)N
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: NC(=O)C=Cc1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NC(=O)C=Cc1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1cc(C)c(c(c1)C)[C@@H]([C@H](c1c(C)cc(cc1C)C)/N=C/C(=C(/C)[O-])/C(=O)C)/N=C/C(=C(/C)[O-])/C(=O)C.[Co+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cc(C)c(c(c1)C)[C@@H]([C@H](c1c(C)cc(cc1C)C)/N=C/C(=C(/C)[O-])/C(=O)C)/N=C/C(=C(/C)[O-])/C(=O)C.[Co+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1onc(n1)CSc1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1onc(n1)CSc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__