2,2,2-Trichloroethyl isoxazol-3-ylcarbamate

HCID 1211419CAS 264600-44-4

Basic information

Standard SMILES
O=C(Nc1ccon1)OCC(Cl)(Cl)Cl
InChIKey
ULMNNJWATZVKCZ-UHFFFAOYSA-N
Molecular formula
C6H5Cl3N2O3
Average molar mass
259.5 g/mol
Monoisotopic mass
257.93657506

Names & identifiers

Preferred name
2,2,2-Trichloroethyl isoxazol-3-ylcarbamate
IUPAC
2,2,2-trichloroethyl N-(1,2-oxazol-3-yl)carbamate

Names & synonyms

264600-44-42,2,2-Trichloroethyl isoxazol-3-ylcarbamateCarbamic acid, 3-isoxazolyl-, 2,2,2-trichloroethyl ester2,2,2-trichloroethyl N-(1,2-oxazol-3-yl)carbamate2,2,2-trichloroethyl 3-isoxazolylcarbamateSCHEMBL3767288DTXSID70361014ULMNNJWATZVKCZ-UHFFFAOYSA-N2,2,2-Trichloroethyl 1,2-oxazol-3-ylcarbamate3-(2,2,2-trichloroethyloxycarbonylamino)isoxazoleAI-204/31683061

Database identifiers

CAS
264600-44-4
PubChem CID
1211419
DTXSID
DTXSID70361014

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

14 records

Linked notes

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