Basic information
- Standard SMILES
COc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F- InChIKey
NGJIIVWYRMAPRQ-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O5
- Average molar mass
- 336.26 g/mol
- Monoisotopic mass
- 336.09330607
Names & identifiers
- Preferred name
- (5-Methoxy-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[5-methoxy-2-nitro-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(5-Methoxy-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5563248DB-388203tert-butyl (5-methoxy-2-nitro-4-(trifluoromethyl)phenyl)carbamate(5-Methoxy-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester473537-31-4
Database identifiers
- PubChem CID
- 69489574
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
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