Basic information
- Standard SMILES
Cc1c(NC(=O)C2(C)CO2)cccc1[N+](=O)[O-]- InChIKey
PJGFOXGRPODDQA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970686
Names & identifiers
- Preferred name
- 2-Methyl-N-(2-methyl-3-nitrophenyl)oxirane-2-carboxamide
- IUPAC
- 2-methyl-N-(2-methyl-3-nitrophenyl)oxirane-2-carboxamide
Names & synonyms
2-Methyl-N-(2-methyl-3-nitrophenyl)oxirane-2-carboxamide821765-17-7DTXSID00839216PJGFOXGRPODDQA-UHFFFAOYSA-N2-methyloxirane-2-carboxylic acid (2-methyl-3-nitro-phenyl)amide2-methyloxirane-2-carboxylic acid (2-methyl-3-nitrophenyl)-amide2-methyloxirane-2-carboxylic acid (2-methyl-3-nitrophenyl)amide
Database identifiers
- CAS
821765-17-7- PubChem CID
- 71420002
- DTXSID
DTXSID00839216
Properties
Computed structural properties
- 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
3 records
Linked notes
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