Basic information
- CAS
78112-21-7- Standard SMILES
O=C(O)c1c[nH]c2cc(OCc3ccc(Br)cc3)ccc2c1=O- InChIKey
SWTMBXHEWHOJEQ-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO4
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 372.99497
Names & identifiers
- Preferred name
- 7-[(4-bromophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
- IUPAC
- 7-[(4-bromophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
CHEMBL1607927-[(4-bromophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid78112-21-7NSC307166DTXSID30316823BDBM50404706NSC-307166DS-0091747-[(4-Bromophenyl)methoxy]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
78112-21-7- PubChem CID
- 328532
- DTXSID
DTXSID30316823- ChEMBL
CHEMBL160792
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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