AD31300
40258-73-9 | methyl 3-bromo-4-methoxy-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD31300
ChemicalName
methyl 3-bromo-4-methoxy-5-nitrobenzoate
CasNumber
40258-73-9
MolecularFormula
C9H8BrNO5
MolecularWeight
290.0675
MdlNumber
MFCD09881752
Smiles
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])OC
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AD31300
ChemicalName: methyl 3-bromo-4-methoxy-5-nitrobenzoate
CasNumber: 40258-73-9
MolecularFormula: C9H8BrNO5
MolecularWeight: 290.0675
MdlNumber: MFCD09881752
Smiles: COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])OC
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AD31300
ChemicalName:
methyl 3-bromo-4-methoxy-5-nitrobenzoate
CasNumber:
40258-73-9
MolecularFormula:
C9H8BrNO5
MolecularWeight:
290.0675
MdlNumber:
MFCD09881752
Smiles:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])OC
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1cnc2c(c1O)cccc2C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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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:
OC(=O)c1cnc2c(c1O)cccc2C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1ccc(cc1)Oc1ccc(c(c1)[N+](=O)[O-])N
Complexity: __
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HeavyAtomCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(c(c1)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: ClS(=O)(=O)CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClS(=O)(=O)CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__