Basic information
- CAS
89524-63-0- Standard SMILES
O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1Cl- InChIKey
PACCRSUMCGBTBO-UHFFFAOYSA-N- Molecular formula
- C11H5ClF3NO2
- Average molar mass
- 275.61 g/mol
- Monoisotopic mass
- 274.99609074
Names & identifiers
- Preferred name
- 4-Chloro-7-(trifluoromethyl)quinoline-3-carboxylic acid
- IUPAC
- 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylic acid
- English name
- 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylic acid
- Molecular formula
- C11H5ClF3NO2
- Molecular weight
- 275.61
Names & synonyms
4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID89524-63-0SCHEMBL4466003DTXSID20547801PACCRSUMCGBTBO-UHFFFAOYSA-NAKOS026751542SB68885DA-013774-Chloro-7-trifluoromethyl quinoline-3-carboxylic acid4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLICACID3-Quinolinecarboxylic acid, 4-chloro-7-(trifluoromethyl)-
Database identifiers
- CAS
89524-63-0- PubChem CID
- 13729347
- DTXSID
DTXSID20547801
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 310 °C · 310 °C
- Boiling point
- 354.3 · 354.3±37.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.38(Predicted)
Chemistry & industry
Suppliers2 total
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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