CAS 1530-33-2|isopropyltriphenylphosphanium bromide|Isopropyl(triphenyl)phosphonium bromide|Triphenyl(propan-2-yl)phosphonium bromide|triphenyl(propan-2-yl)phosphanium bromide|NSC 113130|Isopropyltr...

General Information

Structure

Molecular Formula

C₂₁H₂₂BrP

Molecular Mass

385.277141

Exact Mass

384.06424933

Charge

InChI

InChI=1S/C21H22P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1

InChIKey

HSOZCYIMJQTYEX-UHFFFAOYSA-M

Canonic Smiles

CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]

Isomeric Smiles

[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C.[Br-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.297396

LogD (pH = 7.4)

5.297396

Log P

5.297396

Molar Refractivity

96.4378

Polarizability

38.127544

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

isopropyltriphenylphosphanium bromide

Synonyms

Isopropyl(triphenyl)phosphonium bromideTriphenyl(propan-2-yl)phosphonium bromideNSC 113130Isopropyltriphenylphosphonium Bromide2-Propyltriphenylphosphonium Bromide(1-Methylethyl)triphenyl-phosphonium Bromide(1-Methylethyl)triphenylphosphonium Bromide

IUPAC name

triphenyl(propan-2-yl)phosphanium bromide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID