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
- Formal charge
- 0
- Complexity
- 209
Related reactions
14 records
Linked notes
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