Basic information
- Standard SMILES
O=S(CCCl)Oc1ccccc1- InChIKey
YXKVWSQDJUJDEW-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2S
- Average molar mass
- 204.67 g/mol
- Monoisotopic mass
- 204.0011784
Names & identifiers
- Preferred name
- Phenyl 2-chloroethanesulfinate
- IUPAC
- phenyl 2-chloroethanesulfinate
Names & synonyms
phenyl 2-chloroethanesulfinateSCHEMBL11531811YXKVWSQDJUJDEW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22751643
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Related reactions
2 records
Compound notes
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