Basic information
- CAS
6742-55-8- Standard SMILES
Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1- InChIKey
IJKOKQJXLDYBKI-UHFFFAOYSA-M- Molecular formula
- C18H13BrNO2-
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 354.01297
Names & identifiers
- Preferred name
- 6-Bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- IUPAC
- 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Names & synonyms
6742-55-86-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylateDTXSID20986690
Database identifiers
- CAS
6742-55-8- PubChem CID
- 5226547
- DTXSID
DTXSID20986690
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- -1
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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