3-Cyanomethyl-1-nitro-2,4,6-trimethylbenzene
Basic information
- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1CC#N- InChIKey
UDCJCXCZLZWSHI-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
Names & identifiers
- Preferred name
- 3-Cyanomethyl-1-nitro-2,4,6-trimethylbenzene
- IUPAC
- 2-(2,4,6-trimethyl-3-nitrophenyl)acetonitrile
Names & synonyms
SCHEMBL6587785UDCJCXCZLZWSHI-UHFFFAOYSA-N3-cyanomethyl-1-nitro-2,4,6-trimethylbenzene
Database identifiers
- PubChem CID
- 10679697
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
6 records
Compound notes
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