6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid
Basic information
- CAS
67643-46-3- Standard SMILES
Cc1cc(Br)cc2c(=O)c(C(=O)O)c[nH]c12- InChIKey
QQAKWUOQYYHCSK-UHFFFAOYSA-N- Molecular formula
- C11H8BrNO3
- Average molar mass
- 282.09 g/mol
- Monoisotopic mass
- 280.96876
Names & identifiers
- Preferred name
- 6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid
- IUPAC
- 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid
- Molecular formula
- C11H8BrNO3
- Molecular weight
- 282.092
Names & synonyms
6-bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid67643-46-36-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic AcidMFCD126749786-bromo-4-hydroxy-8-methyl-3-quinolinecarboxylic acidSCHEMBL732403DTXSID20398092QQAKWUOQYYHCSK-UHFFFAOYSA-NSCA64346AKOS005175391SB69404DA-36429
Show more names
Reaxys ID: 4043573-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-8-methyl-
CS-0437676ST51063082EN300-56105G262456-bromo-4-hydroxy-8-methylquinoline-3-carboxylicacidZ8576670406-Bromo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
67643-46-3- PubChem CID
- 3937418
- DTXSID
DTXSID20398092
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
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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