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14650-27-2 | Phosphonium, tris(4-methylphenyl)(phenylmethyl)-, chloride (1:1)
CAS No: 14650-27-2 Catalog No: AG001E2U MDL No:
Product Description
Catalog Number:
AG001E2U
Chemical Name:
Phosphonium, tris(4-methylphenyl)(phenylmethyl)-, chloride (1:1)
CAS Number:
14650-27-2
Molecular Formula:
C28H28ClP
Molecular Weight:
430.9487
IUPAC Name:
benzyl-tris(4-methylphenyl)phosphanium
InChI:
InChI=1S/C28H28P/c1-22-9-15-26(16-10-22)29(21-25-7-5-4-6-8-25,27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28/h4-20H,21H2,1-3H3/q+1
InChI Key:
ZROASVPJQVWUEM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)[P+](c1ccc(cc1)C)(c1ccc(cc1)C)Cc1ccccc1.[Cl-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.193g/mol
Formal Charge:
1
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.506g/mol
Monoisotopic Mass:
395.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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