4-(4-Chlorophenoxy)phenylboronic acid

• Catalog Number: ACM1035491054
• Product Name: 4-(4-Chlorophenoxy)phenylboronic acid
• CAS: 1035491-05-4
• Category: Boric Acids
• Synonyms: [4-(4-Chlorophenoxy)phenyl]boronicacid
• IUPAC Name: [4-(4-Chlorophenoxy)phenyl]boronic acid
• Molecular Weight: 248.47
• Molecular Formula: C12H10BClO3
• Canonical SMILES: B(C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)(O)O
• InChI: InChI=1S/C12H10BClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H
• InChI Key: KWCZAQAFQKTBBY-UHFFFAOYSA-N
• Boiling Point: 404.6±51.0 °C
• Density: 1.34±0.1 g/cm3
• Complexity: 224
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 248.041152
• Heavy Atom Count: 17
• Monoisotopic Mass: 248.041152
• Physical State: Solid
• Topological Polar Surface Area: 49.7 Ų