Basic information
- Standard SMILES
CCCOC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C- InChIKey
DJEBEQMZDDRRFC-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- (2,6-Dimethyl-4-nitro-phenyl)-carbamic acid propyl ester
- IUPAC
- propyl N-(2,6-dimethyl-4-nitrophenyl)carbamate
Names & synonyms
SCHEMBL3603542DJEBEQMZDDRRFC-UHFFFAOYSA-N(2,6-Dimethyl-4-nitro-phenyl)-carbamic acid propyl ester
Database identifiers
- PubChem CID
- 68709792
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
4 records
Compound notes
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