2-(3-Bromo-phenyl)-quinoline-4-carboxylic acid

Specification:
| Synonyms AKOS AUF1148;2-(3-BROMO-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID | Density 1.556g/cm³ What is the molecular formula of the compound? The molecular formula of the compound is C16H10BrNO2. What is the computed molecular weight of the compound? The computed molecular weight of the compound is 328.16 g/mol. What is the IUPAC name of the compound? The IUPAC name of the compound is 2-(3-bromophenyl)quinoline-4-carboxylic acid. What is the InChI of the compound? The InChI of the compound is InChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20). What is the InChIKey of the compound? The InChIKey of the compound is KBIDGMKRLPPRNG-UHFFFAOYSA-N. What is the canonical SMILES of the compound? The canonical SMILES of the compound is C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O. What is the CAS number of the compound? The CAS number of the compound is 298230-83-8. What is the XLogP3-AA value of the compound? The XLogP3-AA value of the compound is 4.1. How many hydrogen bond donor count does the compound have? The compound has 1 hydrogen bond donor count. How many rotatable bond count does the compound have? The compound has 2 rotatable bond count.

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