Basic information
- Standard SMILES
COC(=O)c1c(Cl)c2ccccc2[nH]c1=O- InChIKey
DBWKOZHVFIDGTN-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0192708
Names & identifiers
- Preferred name
- Methyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
- IUPAC
- methyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate
Names & synonyms
Methyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate213181-22-7Methyl 4-chloro-2-oxo-1H-quinoline-3-carboxylateSCHEMBL1621957DBWKOZHVFIDGTN-UHFFFAOYSA-NMMA60854SB70964Methyl4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 10657534
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
Related reactions
9 records
Compound notes
Loading…