AB11910
190367-56-7 | Methyl 4-chloro-2-methyl-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB11910
ChemicalName
Methyl 4-chloro-2-methyl-5-nitrobenzoate
CasNumber
190367-56-7
MolecularFormula
C9H8ClNO4
MolecularWeight
229.6171
MdlNumber
MFCD22571065
Smiles
COC(=O)c1cc([N+](=O)[O-])c(cc1C)Cl
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB11910
ChemicalName: Methyl 4-chloro-2-methyl-5-nitrobenzoate
CasNumber: 190367-56-7
MolecularFormula: C9H8ClNO4
MolecularWeight: 229.6171
MdlNumber: MFCD22571065
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1C)Cl
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB11910
ChemicalName:
Methyl 4-chloro-2-methyl-5-nitrobenzoate
CasNumber:
190367-56-7
MolecularFormula:
C9H8ClNO4
MolecularWeight:
229.6171
MdlNumber:
MFCD22571065
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(cc1C)Cl
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: NC(=S)Cc1nc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
NC(=S)Cc1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: O=c1cc(C)c2c(o1)c([N+](=O)[O-])c(cc2)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1cc(C)c2c(o1)c([N+](=O)[O-])c(cc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc(C)c2c(o1)cc(c(c2)[N+](=O)[O-])O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(C)c2c(o1)cc(c(c2)[N+](=O)[O-])O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__