4-Chloro-3-quinolinemethanol
Basic information
- CAS
21168-46-7- Standard SMILES
OCc1cnc2ccccc2c1Cl- InChIKey
NJXFOKUONAXUBE-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.0294416
Names & identifiers
- Preferred name
- 4-Chloro-3-quinolinemethanol
- IUPAC
- (4-chloroquinolin-3-yl)methanol
- English name
- NSC12796
- Molecular formula
- C10H8ClNO
- Molecular weight
- 193.63
Names & synonyms
4-Chloro-3-quinolinemethanol(4-chloroquinolin-3-yl)methanol21168-46-7NSC127963-Quinolinemethanol, 4-chloro-SCHEMBL844114DTXSID50943498(4-Chloro-3-quinolinyl)methanol #NSC-12796DB-153839
Database identifiers
- CAS
21168-46-7- PubChem CID
- 224397
- DTXSID
DTXSID50943498
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 147 · 147-147.5 °C
- Boiling point
- 343.1 · 343.1±27.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…