AG72681
61940-22-5 | Methyl 2-methyl-6-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG72681
ChemicalName
Methyl 2-methyl-6-nitrobenzoate
CasNumber
61940-22-5
MolecularFormula
C9H9NO4
MolecularWeight
195.17206000000002
MdlNumber
MFCD11042453
Smiles
COC(=O)c1c(C)cccc1[N+](=O)[O-]
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AG72681
ChemicalName: Methyl 2-methyl-6-nitrobenzoate
CasNumber: 61940-22-5
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000002
MdlNumber: MFCD11042453
Smiles: COC(=O)c1c(C)cccc1[N+](=O)[O-]
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AG72681
ChemicalName:
Methyl 2-methyl-6-nitrobenzoate
CasNumber:
61940-22-5
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000002
MdlNumber:
MFCD11042453
Smiles:
COC(=O)c1c(C)cccc1[N+](=O)[O-]
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1)C)C1=NN(CC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1cc(C)c(c(c1)C)C1=NN(CC1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__