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15676-95-6 | Phosphonium, (2-ethoxy-2-oxoethyl)tris(4-methoxyphenyl)-, bromide (1:1)
CAS No: 15676-95-6 Catalog No: AG001OZN MDL No:
Product Description
Catalog Number:
AG001OZN
Chemical Name:
Phosphonium, (2-ethoxy-2-oxoethyl)tris(4-methoxyphenyl)-, bromide (1:1)
CAS Number:
15676-95-6
Molecular Formula:
C25H28BrO5P
Molecular Weight:
519.3646
IUPAC Name:
(2-ethoxy-2-oxoethyl)-tris(4-methoxyphenyl)phosphanium
InChI:
InChI=1S/C25H28O5P/c1-5-30-25(26)18-31(22-12-6-19(27-2)7-13-22,23-14-8-20(28-3)9-15-23)24-16-10-21(29-4)11-17-24/h6-17H,5,18H2,1-4H3/q+1
InChI Key:
HQWDKOPBMPXJJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC.[Br-]
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.167g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.468g/mol
Monoisotopic Mass:
439.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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