Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-]- InChIKey
MIALJKDZAXZUGL-UHFFFAOYSA-N- Molecular formula
- C12H12ClF3N2O4
- Average molar mass
- 340.68 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]carbamate
Names & synonyms
579474-29-6tert-butyl N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]carbamate(4-Chloro-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5557086DB-388171EN300-28297135tert-butyl (4-chloro-2-nitro-5-(trifluoromethyl)phenyl)carbamate
Database identifiers
- PubChem CID
- 69486643
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
3 records
Compound notes
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