Basic information
- CAS
50509-79-0- Standard SMILES
O=C(O)c1cc(C(F)(F)F)nc2c1ccc1ccccc12- InChIKey
HMNQBQCLACTHQE-UHFFFAOYSA-N- Molecular formula
- C15H8F3NO2
- Average molar mass
- 291.22 g/mol
- Monoisotopic mass
- 291.05071298
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)benzo[h]quinoline-4-carboxylic acid
- IUPAC
- 2-(trifluoromethyl)benzo[h]quinoline-4-carboxylic acid
Names & synonyms
50509-79-02-(trifluoromethyl)benzo[h]quinoline-4-carboxylic acidNSC139683DTXSID20964736NSC-139683
Database identifiers
- CAS
50509-79-0- PubChem CID
- 284072
- DTXSID
DTXSID20964736
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…