Basic information
- CAS
653602-03-0- Standard SMILES
O=S(CCl)c1cccc2ccccc12- InChIKey
LCNQYNPSRJQFQK-UHFFFAOYSA-N- Molecular formula
- C11H9ClOS
- Average molar mass
- 224.71 g/mol
- Monoisotopic mass
- 224.0062638
Names & identifiers
- Preferred name
- Naphthalene, 1-[(chloromethyl)sulfinyl]-
- IUPAC
- 1-(chloromethylsulfinyl)naphthalene
Names & synonyms
Naphthalene, 1-[(chloromethyl)sulfinyl]-653602-03-0DTXSID004780281-(Chloromethanesulfinyl)naphthalene
Database identifiers
- CAS
653602-03-0- PubChem CID
- 12123770
- DTXSID
DTXSID00478028- Nikkaji
- J2.204.176B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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