Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)cc1C(F)(F)F- InChIKey
DEPKSCHPMMZBDK-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O4
- Average molar mass
- 320.26 g/mol
- Monoisotopic mass
- 320.09839145
Names & identifiers
- Preferred name
- (4-Methyl-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-methyl-2-nitro-5-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(4-methyl-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5557554DB-388183tert-butyl (4-methyl-2-nitro-5-(trifluoromethyl)phenyl)carbamate579474-24-1
Database identifiers
- PubChem CID
- 69486805
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 428
Related reactions
1 records
Compound notes
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