2-Methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
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Basic information
- CAS
821764-66-3- Standard SMILES
Cc1cc(NC(=O)C2(C)CO2)ccc1[N+](=O)[O-]- InChIKey
DGUOMOZGBZIMEQ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970686
Names & identifiers
- Preferred name
- 2-Methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
- IUPAC
- 2-methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide
Names & synonyms
2-Methyl-N-(3-methyl-4-nitrophenyl)oxirane-2-carboxamide821764-66-3DTXSID60839217DGUOMOZGBZIMEQ-UHFFFAOYSA-N2-methyl-oxirane-2-carboxylic acid (3-methyl-4-nitro-phenyl)amide2-methyl-oxirane-2-carboxylic acid (3-methyl-4-nitrophenyl)amide2-methyloxirane-2-carboxylic acid (3-methyl-4-nitro-phenyl)amide2-methyloxirane-2-carboxylic acid (3-methyl-4-nitrophenyl)-amide2-Methyloxirane-2-carboxylic acid (3-methyl-4-nitrophenyl)amide
Database identifiers
- CAS
821764-66-3- PubChem CID
- 71420003
- DTXSID
DTXSID60839217
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
17 records
Compound notes
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