(4-ethoxy-4-oxobutyl)triphenylphosphanium bromide

(4-ethoxy-4-oxobutyl)triphenylphosphanium bromide

CAS: 50479-11-3

Formula: C24H26BrO2P

SMILES: [Br-].CCOC(=O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (4-ethoxy-4-oxobutyl)triphenylphosphanium bromide

InChI: InChI=1S/C24H26O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,2,12,19-20H2,1H3;1H/q+1;/p-1

Composition: C (63.03%), H (5.73%), Br (17.47%), O (7.00%), P (6.77%)

Molar Mass: 457.348

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	456.08538
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JPZMNVPVVYVXAD-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity	112.28
Topological Polar Surface Area	26.3
Polarizability	44.33
Ring Count	3
Rotatable Bond Count	9

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