4-[(2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl]phenylboronic acid

• Catalog Number: ACM849062051
• Product Name: 4-[(2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl]phenylboronic acid
• CAS: 849062-05-1
• Category: Heterocyclic Organic Compound
• IUPAC Name: [4-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
• Molecular Weight: 330.49g/mol
• Molecular Formula: C14H11BClF3O3
• Canonical SMILES: B(C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(F)(F)F)Cl)(O)O
• InChI: InChI=1S/C14H11BClF3O3/c16-12-6-3-10(14(17,18)19)7-13(12)22-8-9-1-4-11(5-2-9)15(20)21/h1-7,20-21H,8H2
• InChI Key: SINBWLIQPYPVCZ-UHFFFAOYSA-N
• Complexity: 349
• Covalently-Bonded Unit Count: 1
• Exact Mass: 330.044187g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 22
• Monoisotopic Mass: 330.044187g/mol
• Rotatable Bond Count: 4