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Basic information
- CAS
65325-67-9- Standard SMILES
Cc1ccc(S(=O)CF)cc1- InChIKey
RJMVSDQUPISREF-UHFFFAOYSA-N- Molecular formula
- C8H9FOS
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.03581413
Names & identifiers
- Preferred name
- 1-(Fluoromethylsulfinyl)-4-methylbenzene
- IUPAC
- 1-(fluoromethylsulfinyl)-4-methylbenzene
Names & synonyms
1-(fluoromethylsulfinyl)-4-methylbenzeneDTXSID70315198RefChem:226677DTXCID0026632165325-67-9NSC293054SCHEMBL2729360RJMVSDQUPISREF-UHFFFAOYSA-NAKOS006307631NSC-2930541-(Fluoromethanesulfinyl)-4-methylbenzene
Database identifiers
- CAS
65325-67-9- PubChem CID
- 325134
- DTXSID
DTXSID70315198- Nikkaji
- J1.498.279E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Related reactions
12 records
Compound notes
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