Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
HIHLPWFEZHZXPD-UHFFFAOYSA-N- Molecular formula
- C12H12F4N2O4
- Average molar mass
- 324.23 g/mol
Names & identifiers
- Preferred name
- (5-Fluoro-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[5-fluoro-2-nitro-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
473537-10-9tert-butyl N-[5-fluoro-2-nitro-4-(trifluoromethyl)phenyl]carbamate(5-Fluoro-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5556419DB-404752EN300-25329211tert-butyl (5-fluoro-2-nitro-4-(trifluoromethyl)phenyl)carbamate(5-Fluoro-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 12048024
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
9 records
Compound notes
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