Basic information
- CAS
53542-48-6- Standard SMILES
Fc1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1C2CCCCl- InChIKey
BRWGHNMSDBLZLJ-UHFFFAOYSA-N- Molecular formula
- C17H13ClF4S
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.0362619
Names & identifiers
- Preferred name
- 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
- IUPAC
- 9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
- English name
- 9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
- Molecular formula
- C17H13ClF4S
- Molecular weight
- 360.8
Names & synonyms
9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene53542-48-6EINECS 258-620-4DTXSID50968303RefChem:107656DTXCID801395888258-620-4DB-307533NS000586959H-Thioxanthene, 9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-
Database identifiers
- CAS
53542-48-6- PubChem CID
- 103804
- DTXSID
DTXSID50968303- EC Number
- 258-620-4
- Nikkaji
- J295.990I
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Suppliers3 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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