(5-Fluoro-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HCID 12048024

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

Related reactions

9 records

Compound notes

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