Basic information
- CAS
83522-05-8- Standard SMILES
Clc1ccc(C2OCCS2)cc1Cl- InChIKey
PNBZBZXTLCAFAT-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2OS
- Average molar mass
- 235.13 g/mol
- Monoisotopic mass
- 233.9672914
Names & identifiers
- Preferred name
- 1,3-Oxathiolane, 2-(3,4-dichlorophenyl)-
- IUPAC
- 2-(3,4-dichlorophenyl)-1,3-oxathiolane
Names & synonyms
2-(3,4-Dichlorophenyl)-1,3-oxathiolaneBRN 55234111,3-OXATHIOLANE, 2-(3,4-DICHLOROPHENYL)-DTXSID701003507RefChem:219384DTXCID70143041983522-05-8
Database identifiers
- CAS
83522-05-8- PubChem CID
- 55034
- DTXSID
DTXSID701003507- Nikkaji
- J78.515F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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