Basic information
- CAS
641993-16-0- Standard SMILES
COc1ccc(Cl)c2c(=O)c(C(=O)O)c[nH]c12- InChIKey
MIHXPACQQGMJDI-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO4
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 253.0141854
Names & identifiers
- Preferred name
- 5-Chloro-4-hydroxy-8-methoxyquinoline-3-carboxylic acid
- IUPAC
- 5-chloro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 5-Chloro-4-hydroxy-8-methoxyquinoline-3-carboxylic acid
- Molecular formula
- C11H8ClNO4
- Molecular weight
- 253.63852
Names & synonyms
641993-16-05-Chloro-4-hydroxy-8-methoxyquinoline-3-carboxylic acid5-chloro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acidF3099-63155-chloro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic AcidDTXSID50352763MFCD12675006AKOS002356318ST50208601EN300-6296875-chloro-8-methoxy-4-oxohydroquinoline-3-carboxylic acidZ3006067921
Show more names
5-chloro-8-methoxy-4-oxo-1~{H}-quinoline-3-carboxylic acid
Database identifiers
- CAS
641993-16-0- PubChem CID
- 735367
- DTXSID
DTXSID50352763
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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