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Structure

6-Bromo-3-methyl-2-4-tolylquinoline-4-carboxylic acid

CAS
351000-02-7
Catalog Number
ACM351000027
Category
Bromine Series
Molecular Weight
356.21
Molecular Formula
C18H14BrNO2

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Specification

Synonyms
6-Bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid;6-Bromo-3-methyl-2-p-tolyl-quinoline-4-carboxylic acid
What is the molecular formula of the compound?

The molecular formula of the compound is C18H14BrNO2.

What are the synonyms of the compound?

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.

What is the molecular weight of the compound?

The molecular weight of the compound is 356.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

What is the InChI of the compound?

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).

What is the InChIKey of the compound?

The InChIKey of the compound is IJKOKQJXLDYBKI-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

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.

What is the CAS number of the compound?

The CAS number of the compound is 351000-02-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 4.8.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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