Basic information
- CAS
42864-21-1- Standard SMILES
O=C(Nc1ccccc1)OCC(Cl)(Cl)Cl- InChIKey
PAVDVFNMTYTIEG-UHFFFAOYSA-N- Molecular formula
- C9H8Cl3NO2
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 266.962062
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl phenylcarbamate
- IUPAC
- 2,2,2-trichloroethyl N-phenylcarbamate
Names & synonyms
42864-21-12,2,2-trichloroethyl phenylcarbamateNSC151581SCHEMBL10778464DTXSID70962747PAVDVFNMTYTIEG-UHFFFAOYSA-NNSC-151581DS-011508Aniline, N-(2,2,2-trichloroethoxycarbonyl)-2,2,2-Trichloroethyl hydrogen phenylcarbonimidate
Database identifiers
- CAS
42864-21-1- PubChem CID
- 289477
- DTXSID
DTXSID70962747- Nikkaji
- J1.618.474H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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