AB67947
7356-11-8 | Methyl 4-methyl-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB67947
ChemicalName
Methyl 4-methyl-3-nitrobenzoate
CasNumber
7356-11-8
MolecularFormula
C9H9NO4
MolecularWeight
195.17206
MdlNumber
MFCD00130054
Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C
NscNumber
29086
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB67947
ChemicalName: Methyl 4-methyl-3-nitrobenzoate
CasNumber: 7356-11-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206
MdlNumber: MFCD00130054
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])C
NscNumber: 29086
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB67947
ChemicalName:
Methyl 4-methyl-3-nitrobenzoate
CasNumber:
7356-11-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206
MdlNumber:
MFCD00130054
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C
NscNumber:
29086
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(ccc1C)C(=O)Cl
NscNumber: __
Complexity: 226
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(ccc1C)C(=O)Cl
NscNumber:
__
Complexity:
226
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AB67949
ChemicalName: 4-Methyl-3-nitrobenzyl alcohol
CasNumber: 40870-59-5
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD00007177
Smiles: OCc1ccc(c(c1)[N+](=O)[O-])C
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB67949
ChemicalName:
4-Methyl-3-nitrobenzyl alcohol
CasNumber:
40870-59-5
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD00007177
Smiles:
OCc1ccc(c(c1)[N+](=O)[O-])C
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1ccc(c(c1)N(=O)=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1ccc(c(c1)N(=O)=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__