AD29815
133446-99-8 | Methyl 2-(bromomethyl)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD29815
ChemicalName
Methyl 2-(bromomethyl)-4-nitrobenzoate
CasNumber
133446-99-8
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD11505948
Smiles
COC(=O)c1ccc(cc1CBr)[N+](=O)[O-]
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AD29815
ChemicalName: Methyl 2-(bromomethyl)-4-nitrobenzoate
CasNumber: 133446-99-8
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD11505948
Smiles: COC(=O)c1ccc(cc1CBr)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD29815
ChemicalName:
Methyl 2-(bromomethyl)-4-nitrobenzoate
CasNumber:
133446-99-8
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD11505948
Smiles:
COC(=O)c1ccc(cc1CBr)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: OCC1OC(OCc2ccccc2)C(C(C1O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC1OC(OCc2ccccc2)C(C(C1O)O)NC(=O)C
Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1cc2cc(C(=O)O)c(=O)oc2c(c1)Br
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Smiles:
Clc1cc2cc(C(=O)O)c(=O)oc2c(c1)Br
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=N)CCCl.Cl
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=N)CCCl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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