4-(Bromomethyl)benzeneboronic acid pinacol ester

• Catalog Number: ACM138500853
• Product Name: 4-(Bromomethyl)benzeneboronic acid pinacol ester
• CAS: 138500-85-3
• Category: Boronic Esters
• Synonyms: 4-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER;4-BROMOMETHYLPHENYLBORONIC ACID, PINACOL ESTER;4-(Bromomethyl)benzeneboronic acid pinacol cyclic ester;4-(Bromomethyl)phenylboronic acid pinacol cyclic ester~2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,
• IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Molecular Weight: 297g/mol
• Molecular Formula: C13H18BBrO2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr
• InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
• InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N
• Complexity: 257
• Covalently-Bonded Unit Count: 1
• Exact Mass: 296.05832g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 296.05832g/mol
• Rotatable Bond Count: 2