350998-45-7 Purity
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Specification
The molecular formula of the compound is C18H14BrNO2.
The synonyms of the compound are 351000-02-7, 6-bromo-3-methyl-2-4-tolylquinoline-4-carboxylic acid, 6-BROMO-3-METHYL-2-(P-TOLYL)QUINOLINE-4-CARBOXYLIC ACID, and 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
The molecular weight of the compound is 356.2 g/mol.
The IUPAC name of the compound is 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
The InChI of the compound is InChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22).
The InChIKey of the compound is IJKOKQJXLDYBKI-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2C)C(=O)O.
The CAS number of the compound is 351000-02-7.
The XLogP3-AA value of the compound is 4.8.
Yes, the compound is canonicalized.