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

HCID 69486643

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-]
InChIKey
MIALJKDZAXZUGL-UHFFFAOYSA-N
Molecular formula
C12H12ClF3N2O4
Average molar mass
340.68 g/mol

Names & identifiers

Preferred name
(4-Chloro-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]carbamate

Names & synonyms

579474-29-6tert-butyl N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]carbamate(4-Chloro-2-nitro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5557086DB-388171EN300-28297135tert-butyl (4-chloro-2-nitro-5-(trifluoromethyl)phenyl)carbamate

Database identifiers

PubChem CID
69486643

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
84.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
22

Related reactions

3 records

Compound notes

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