AC08561
88089-94-5 | Methyl 4-(bromomethyl)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC08561
ChemicalName
Methyl 4-(bromomethyl)-3-nitrobenzoate
CasNumber
88089-94-5
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD12031824
Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AC08561
ChemicalName: Methyl 4-(bromomethyl)-3-nitrobenzoate
CasNumber: 88089-94-5
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD12031824
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AC08561
ChemicalName:
Methyl 4-(bromomethyl)-3-nitrobenzoate
CasNumber:
88089-94-5
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD12031824
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: CN(c1nc(=O)c(c([nH]1)N)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CN(c1nc(=O)c(c([nH]1)N)[N+](=O)[O-])C
Complexity:
__
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)c1ccc2c(c1)c(=O)c1c(o2)c(Cl)ccc1
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MolecularFormula:
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Smiles:
OC(=O)c1ccc2c(c1)c(=O)c1c(o2)c(Cl)ccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=CCCCCOc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=CCCCCOc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__