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Structure

(4-N-butoxybenzyl)triphenylphosphonium bromide

CAS
146346-92-1
Catalog Number
ACM146346921
Category
Other Products
Molecular Weight
505.43
Molecular Formula
C29H30BrOP

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Specification

Synonyms
(4-Butoxybenzyl)triphenylphosphonium bromide
IUPAC Name
(4-Butoxyphenyl)methyl-triphenylphosphanium;bromide
Canonical SMILES
CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C29H30OP.BrH/c1-2-3-23-30-26-21-19-25(20-22-26)24-31(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-22H,2-3,23-24H2,1H3;1H/q+1;/p-1
InChI Key
DYBCXFJUMGEGBX-UHFFFAOYSA-M
Melting Point
195-198 °C
Complexity
433
Covalently-Bonded Unit Count
2
Exact Mass
504.12177
Heavy Atom Count
32
Monoisotopic Mass
504.12177
Topological Polar Surface Area
9.2 Ų
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