6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
Basic information
- CAS
19188-81-9- Standard SMILES
O=c1oc2cc(Cl)ccc2n1SC(Cl)(Cl)Cl- InChIKey
RZLDVTPGUNNGTR-UHFFFAOYSA-N- Molecular formula
- C8H3Cl4NO2S
- Average molar mass
- 319 g/mol
- Monoisotopic mass
- 316.86386
Names & identifiers
- Preferred name
- 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
- IUPAC
- 6-chloro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
Names & synonyms
19188-81-96-chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-oneNSC35917DTXSID80284144NSC-35917
Database identifiers
- CAS
19188-81-9- PubChem CID
- 234992
- DTXSID
DTXSID80284144
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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