AC57931
6968-22-5 | 3-Amino-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC57931
ChemicalName
3-Amino-4-nitrobenzoic acid
CasNumber
6968-22-5
MolecularFormula
C7H6N2O4
MolecularWeight
182.1335
MdlNumber
MFCD01806270
Smiles
OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NscNumber
20672
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AC57931
ChemicalName: 3-Amino-4-nitrobenzoic acid
CasNumber: 6968-22-5
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD01806270
Smiles: OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NscNumber: 20672
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AC57931
ChemicalName:
3-Amino-4-nitrobenzoic acid
CasNumber:
6968-22-5
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD01806270
Smiles:
OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NscNumber:
20672
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
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Smiles: CCN(c1ccc(cc1)N=Nc1nncn1C)CC.CCOS(=O)(=O)OCC
NscNumber: __
Complexity: __
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Smiles:
CCN(c1ccc(cc1)N=Nc1nncn1C)CC.CCOS(=O)(=O)OCC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCc1c(C)[nH]c2c1cccc2
NscNumber: __
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:
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MdlNumber:
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Smiles:
OCc1c(C)[nH]c2c1cccc2
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OCc1ccccc1)NCCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCc1ccccc1)NCCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__