2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid

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Catalog Number

ACM1072951871

Product Name

CAS

1072951-87-1

Category

Heterocyclic Organic Compound

IUPAC Name

[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid

Molecular Weight

284.2g/mol

Molecular Formula

C17H21BO3

Canonical SMILES

B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O

InChI

InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3

InChI Key

JDYAGWNUTBEZCI-UHFFFAOYSA-N

Complexity

308

Covalently-Bonded Unit Count

Exact Mass

284.158375g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

284.158375g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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