Basic information
- CAS
17739-81-0- Standard SMILES
O=C(c1cccc(C(F)(F)F)c1)c1ccc2sc3ccccc3c2c1- InChIKey
BUSWROKLCOZQHR-UHFFFAOYSA-N- Molecular formula
- C20H11F3OS
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.04827063
Names & identifiers
- Preferred name
- Dibenzothiophene, 2-(m-trifluoromethylbenzoyl)-
- IUPAC
- dibenzothiophen-2-yl-[3-(trifluoromethyl)phenyl]methanone
- English name
- 2-(m-Trifluoromethylbenzoyl)dibenzothiophene
- Molecular weight
- 0
Names & synonyms
DIBENZOTHIOPHENE, 2-(m-TRIFLUOROMETHYLBENZOYL)-2-(m-Trifluoromethylbenzoyl)dibenzothiophene17739-81-0DTXSID80170295RefChem:337263DTXCID6092786dibenzothiophen-2-yl-[3-(trifluoromethyl)phenyl]methanoneBUSWROKLCOZQHR-UHFFFAOYSA-N(Dibenzo[b,d]thiophen-2-yl)[3-(trifluoromethyl)phenyl]methanone
Database identifiers
- CAS
17739-81-0- PubChem CID
- 28720
- DTXSID
DTXSID80170295- Nikkaji
- J72.892F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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