4-Bromo-2-methylnicotinic acid ethyl ester

• Catalog Number: ACM1256818413-1
• Product Name: 4-Bromo-2-methylnicotinic acid ethyl ester
• CAS: 1256818-41-3
• Category: Pyridines
• Synonyms: 3-Pyridinecarboxylic acid, 4-bromo-2-methyl-, ethyl ester
• IUPAC Name: Ethyl 4-bromo-2-methylpyridine-3-carboxylate
• Molecular Weight: 244.08
• Molecular Formula: C9H10BrNO2
• Canonical SMILES: CCOC(=O)C1=C(C=CN=C1C)Br
• InChI: InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-6(2)11-5-4-7(8)10/h4-5H,3H2,1-2H3
• InChI Key: YLQWMYIZFWWUAD-UHFFFAOYSA-N
• Storage: 2-8 °C
• Complexity: 187
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Monoisotopic Mass: 242.98949
• Physical State: Solid
• Topological Polar Surface Area: 39.2 Ų