AA76111
150812-32-1 | 2-Amino-4-bromo-5-chlorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA76111
ChemicalName
2-Amino-4-bromo-5-chlorobenzoic acid
CasNumber
150812-32-1
MolecularFormula
C7H5BrClNO2
MolecularWeight
250.4771
MdlNumber
MFCD10000554
Smiles
OC(=O)c1cc(Cl)c(cc1N)Br
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AA76111
ChemicalName: 2-Amino-4-bromo-5-chlorobenzoic acid
CasNumber: 150812-32-1
MolecularFormula: C7H5BrClNO2
MolecularWeight: 250.4771
MdlNumber: MFCD10000554
Smiles: OC(=O)c1cc(Cl)c(cc1N)Br
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AA76111
ChemicalName:
2-Amino-4-bromo-5-chlorobenzoic acid
CasNumber:
150812-32-1
MolecularFormula:
C7H5BrClNO2
MolecularWeight:
250.4771
MdlNumber:
MFCD10000554
Smiles:
OC(=O)c1cc(Cl)c(cc1N)Br
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.6
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MolecularFormula: __
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Smiles: CCOC(=O)Nc1ccc(cc1[N+](=O)[O-])NCc1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)Nc1ccc(cc1[N+](=O)[O-])NCc1ccc(cc1)F
Complexity:
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Smiles: Fc1ccc(cc1)CNc1ccc(c(c1)[N+](=O)[O-])N
Complexity: __
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Smiles:
Fc1ccc(cc1)CNc1ccc(c(c1)[N+](=O)[O-])N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1CCC(=O)N1OC(=O)c1ccc(c(c1)c1c2ccc(cc2[o+]c2c1ccc(c2)N(C)C)N(C)C)C(=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CCC(=O)N1OC(=O)c1ccc(c(c1)c1c2ccc(cc2[o+]c2c1ccc(c2)N(C)C)N(C)C)C(=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__