Basic information
- CAS
61150-44-5- Standard SMILES
O=C(O)Cc1ccccc1Sc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
JINZTZLHABAELU-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0042129
Names & identifiers
- Preferred name
- (2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid
- IUPAC
- 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
Names & synonyms
(2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetic acid61150-44-5SCHEMBL11489434DTXSID70495020JINZTZLHABAELU-UHFFFAOYSA-N
Database identifiers
- CAS
61150-44-5- PubChem CID
- 12374614
- DTXSID
DTXSID70495020
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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