Ethyl 6-bromo-4-hydroxy-8-methylquinoline-3-carboxylate
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Basic information
- CAS
67643-31-6- Standard SMILES
CCOC(=O)c1c[nH]c2c(C)cc(Br)cc2c1=O- InChIKey
UZXMPANUBSTXKN-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO3
- Average molar mass
- 310.14 g/mol
- Monoisotopic mass
- 309.00006
Names & identifiers
- Preferred name
- Ethyl 6-bromo-4-hydroxy-8-methylquinoline-3-carboxylate
- IUPAC
- ethyl 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylate
- English name
- 6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C13H12BrNO3
- Molecular weight
- 310.14
Names & synonyms
67643-31-6ethyl 6-bromo-4-hydroxy-8-methylquinoline-3-carboxylateethyl 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylateMFCD12674977Ethyl 6-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid ethyl esterSCHEMBL730189DTXSID20497599UZXMPANUBSTXKN-UHFFFAOYSA-NMFCD24875002AKOS005175396AKOS037647006
Show more names
3-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-8-methyl-, ethyl ester
SB72438AS-71912DA-33713SY315328ST51063085W19126ethyl 6-bromo-4-hydroxy-8-methyl-3-quinolinecarboxylateethyl6-bromo-4-hydroxy-8-methylquinoline-3-carboxylate
Database identifiers
- CAS
67643-31-6- PubChem CID
- 12423937
- DTXSID
DTXSID20497599
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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