AD06438
67175-27-3 | 3-Bromo-4-hydroxy-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD06438
ChemicalName
3-Bromo-4-hydroxy-5-nitrobenzoic acid
CasNumber
67175-27-3
MolecularFormula
C7H4BrNO5
MolecularWeight
262.0144
MdlNumber
MFCD14708201
Smiles
[O-][N+](=O)c1cc(cc(c1O)Br)C(=O)O
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AD06438
ChemicalName: 3-Bromo-4-hydroxy-5-nitrobenzoic acid
CasNumber: 67175-27-3
MolecularFormula: C7H4BrNO5
MolecularWeight: 262.0144
MdlNumber: MFCD14708201
Smiles: [O-][N+](=O)c1cc(cc(c1O)Br)C(=O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AD06438
ChemicalName:
3-Bromo-4-hydroxy-5-nitrobenzoic acid
CasNumber:
67175-27-3
MolecularFormula:
C7H4BrNO5
MolecularWeight:
262.0144
MdlNumber:
MFCD14708201
Smiles:
[O-][N+](=O)c1cc(cc(c1O)Br)C(=O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1cc(c2ccccc2)c(=O)c(nc1c1ccccc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1cc(c2ccccc2)c(=O)c(nc1c1ccccc1)OC
Complexity:
__
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HeavyAtomCount:
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Smiles: COc1cc(ccc1OC)c1cnc(c(n1)C#N)C#N
Complexity: __
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Smiles:
COc1cc(ccc1OC)c1cnc(c(n1)C#N)C#N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__