Basic information
- CAS
337337-54-9- Standard SMILES
Cc1[nH]c2ccc(Br)cc2c(=O)c1CCC(=O)O- InChIKey
KUELJXSOAHJEBT-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO3
- Average molar mass
- 310.14 g/mol
- Monoisotopic mass
- 309.00006
Names & identifiers
- Preferred name
- 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid
- IUPAC
- 3-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acid
Names & synonyms
337337-54-96-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acidRefChem:3075563-(6-bromo-4-hydroxy-2-methylquinolin-3-yl)propanoic acidOprea1_213236Oprea1_6547883-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acidDTXSID801220425SMSF0010011STK091874AKOS000620502CB00922
Show more names
3-(6-bromo-4-hydroxy-2-methyl-3-quinolinyl)propanoic acid
Database identifiers
- CAS
337337-54-9- PubChem CID
- 768511
- DTXSID
DTXSID801220425
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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