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(3-methylbutyl)triphenylphosphanium bromide

(3-methylbutyl)triphenylphosphanium bromide

CAS: 28322-40-9

Formula: C23H26BrP

SMILES: [Br-].CC(C)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (3-methylbutyl)triphenylphosphanium bromide

InChI: InChI=1S/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1

Composition: C (66.83%), H (6.34%), Br (19.33%), P (7.49%)

Molar Mass: 413.339

Atom Count: 51

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 412.095551
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey GZLGTVRDLCJQTO-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 105.64
Topological Polar Surface Area 0
Polarizability 41.82
Ring Count 3
Rotatable Bond Count 6

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