AC80024
954815-08-8 | 3-Bromo-4-methoxy-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC80024
ChemicalName
3-Bromo-4-methoxy-5-nitrobenzoic acid
CasNumber
954815-08-8
MolecularFormula
C8H6BrNO5
MolecularWeight
276.0409
MdlNumber
MFCD09881755
Smiles
COc1c(Br)cc(cc1[N+](=O)[O-])C(=O)O
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AC80024
ChemicalName: 3-Bromo-4-methoxy-5-nitrobenzoic acid
CasNumber: 954815-08-8
MolecularFormula: C8H6BrNO5
MolecularWeight: 276.0409
MdlNumber: MFCD09881755
Smiles: COc1c(Br)cc(cc1[N+](=O)[O-])C(=O)O
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AC80024
ChemicalName:
3-Bromo-4-methoxy-5-nitrobenzoic acid
CasNumber:
954815-08-8
MolecularFormula:
C8H6BrNO5
MolecularWeight:
276.0409
MdlNumber:
MFCD09881755
Smiles:
COc1c(Br)cc(cc1[N+](=O)[O-])C(=O)O
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Cc1ccccc1OP(=O)(Oc1ccccc1CC(C)C)Oc1ccccc1CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(Cc1ccccc1OP(=O)(Oc1ccccc1CC(C)C)Oc1ccccc1CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCC1(CCC(=O)O)Cc2c(C1=O)cc(c(c2)OCc1ccccc1)OCc1ccccc1
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:
CCCC1(CCC(=O)O)Cc2c(C1=O)cc(c(c2)OCc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCOc1ccc(cc1)[C@@]1(C)NC(=O)NC1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCOc1ccc(cc1)[C@@]1(C)NC(=O)NC1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__