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(2-ethoxy-2-oxoethyl)triphenylphosphanium chloride

(2-ethoxy-2-oxoethyl)triphenylphosphanium chloride

CAS: 17577-28-5

Formula: C22H22ClO2P

SMILES: [Cl-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2-ethoxy-2-oxoethyl)triphenylphosphanium chloride

InChI: InChI=1S/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

Composition: C (68.66%), H (5.76%), Cl (9.21%), O (8.31%), P (8.05%)

Molar Mass: 384.84

Atom Count: 48

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 384.1045946
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DJGHVEPNEJKZBF-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 102.92
Topological Polar Surface Area 26.3
Polarizability 40.63
Ring Count 3
Rotatable Bond Count 7

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