CAS 1169942-85-1 (4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide

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(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide

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Catalog Number

ACM1169942851

Product Name

(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide

CAS

1169942-85-1

Category

Salt

IUPAC Name

bromo-triphenyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-ж╦5-phosphane

Molecular Weight

559.3g/mol

Molecular Formula

C31H33BBrO2P

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br

InChI

InChI=1S/C31H33BBrO2P/c1-30(2)31(3,4)35-32(34-30)26-22-20-25(21-23-26)24-36(33,27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-23H,24H2,1-4H3

InChI Key

QFKBJKZUBNWCIZ-UHFFFAOYSA-N

Complexity

667

Covalently-Bonded Unit Count

Exact Mass

558.14946g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

558.14946g/mol

Rotatable Bond Count