{[4-(methoxycarbonyl)phenyl]methyl}triphenylphosphanium bromide

{[4-(methoxycarbonyl)phenyl]methyl}triphenylphosphanium bromide

CAS: 1253-46-9

Formula: C27H24BrO2P

SMILES: [Br-].COC(=O)C1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: {[4-(methoxycarbonyl)phenyl]methyl}triphenylphosphanium bromide

InChI: InChI=1S/C27H24O2P.BrH/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

Composition: C (66.00%), H (4.92%), Br (16.26%), O (6.51%), P (6.30%)

Molar Mass: 491.365

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	490.06973
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WUWDGVKUXDZLNU-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity	123.86
Topological Polar Surface Area	26.3
Polarizability	48.38
Ring Count	4
Rotatable Bond Count	7

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