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88257-54-9 | Phosphonium, (3-methoxyphenyl)triphenyl-, iodide
CAS No: 88257-54-9 Catalog No: AG004AC1 MDL No:
Product Description
Catalog Number:
AG004AC1
Chemical Name:
Phosphonium, (3-methoxyphenyl)triphenyl-, iodide
CAS Number:
88257-54-9
Molecular Formula:
C25H22IOP
Molecular Weight:
496.3198
IUPAC Name:
(3-methoxyphenyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C25H22OP.HI/c1-26-21-12-11-19-25(20-21)27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-20H,1H3;1H/q+1;/p-1
InChI Key:
XXJGCLPUSJODKG-UHFFFAOYSA-M
SMILES:
COc1cccc(c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.045g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.328g/mol
Monoisotopic Mass:
496.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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