AH87657
91983-31-2 | Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AH87657
ChemicalName
Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
CasNumber
91983-31-2
MolecularFormula
C8H6BrNO5
MolecularWeight
276.0409
MdlNumber
MFCD00458681
Smiles
COC(=O)c1cc(Br)cc(c1O)[N+](=O)[O-]
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AH87657
ChemicalName: Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
CasNumber: 91983-31-2
MolecularFormula: C8H6BrNO5
MolecularWeight: 276.0409
MdlNumber: MFCD00458681
Smiles: COC(=O)c1cc(Br)cc(c1O)[N+](=O)[O-]
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AH87657
ChemicalName:
Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
CasNumber:
91983-31-2
MolecularFormula:
C8H6BrNO5
MolecularWeight:
276.0409
MdlNumber:
MFCD00458681
Smiles:
COC(=O)c1cc(Br)cc(c1O)[N+](=O)[O-]
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: NNc1sc2c(n1)c(ccc2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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MdlNumber:
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Smiles:
NNc1sc2c(n1)c(ccc2)C(F)(F)F
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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ChemicalName: __
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MolecularFormula: __
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Smiles: COCC(=O)Nc1ccccc1N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COCC(=O)Nc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)c1ccc(s1)C#CC(O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(s1)C#CC(O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__