Basic information
- CAS
27333-34-2- Standard SMILES
CCOC(=O)c1c[nH]c2c(OC)ccc(Cl)c2c1=O- InChIKey
NOJJOXUTVCCCKR-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO4
- Average molar mass
- 281.69 g/mol
- Monoisotopic mass
- 281.0454856
Names & identifiers
- Preferred name
- Ethyl 5-chloro-4-hydroxy-8-methoxyquinoline-3-carboxylate
- IUPAC
- ethyl 5-chloro-8-methoxy-4-oxo-1H-quinoline-3-carboxylate
- English name
- 5-Chloro-4-hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C13H12ClNO4
- Molecular weight
- 281.69
Names & synonyms
27333-34-2ethyl 5-chloro-4-hydroxy-8-methoxyquinoline-3-carboxylate5-Chloro-4-hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl esterethyl 5-chloro-8-methoxy-4-oxo-1H-quinoline-3-carboxylateDTXSID90352762CBA33334MFCD01610197AKOS002322886SB69165ST50327242EN300-629756ethyl5-chloro-4-hydroxy-8-methoxyquinoline-3-carboxylate
Show more names
Ethyl 5-chloro-4-hydroxy-8-methoxy-3-quinolinecarboxylate3-Quinolinecarboxylic acid, 5-chloro-4-hydroxy-8-methoxy-, ethyl ester
Z2574928086ethyl 5-chloro-8-methoxy-4-oxohydroquinoline-3-carboxylateEthyl 5-chloro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
27333-34-2- PubChem CID
- 735366
- DTXSID
DTXSID90352762
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 403.2 · 403.2±40.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 1.96 · 1.96±0.50(Predicted)
- 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
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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