Basic information
- CAS
302553-01-1- Standard SMILES
O=C(O)c1c[nH]c2c(Cl)cc(Cl)c(Cl)c2c1=O- InChIKey
DIMMLVONVUPWHB-UHFFFAOYSA-N- Molecular formula
- C10H4Cl3NO3
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 290.925676
Names & identifiers
- Preferred name
- 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 5,6,8-trichloro-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
302553-01-15,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidRefChem:2985285,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidOprea1_066465CHEMBL553336SCHEMBL19615682SCHEMBL31061216DTXSID201185667AKOS005842557PD182442AE-641/12845342
Show more names
5,6,8-trichloro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Database identifiers
- CAS
302553-01-1- PubChem CID
- 718154
- DTXSID
DTXSID201185667- ChEMBL
CHEMBL553336
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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