Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
YXPWIJNJDDGHBN-UHFFFAOYSA-N- Molecular formula
- C15H17F3N2O4
- Average molar mass
- 346.3 g/mol
Names & identifiers
- Preferred name
- (5-Cyclopropyl-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[5-cyclopropyl-2-nitro-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(5-Cyclopropyl-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5563760
Database identifiers
- PubChem CID
- 69489771
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
3 records
Compound notes
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