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138472-47-6 | Phosphonium, tris(4-methylphenyl)(3-phenyl-2-propen-1-yl)-, bromide (1:1)
CAS No: 138472-47-6 Catalog No: AG00198W MDL No:
Product Description
Catalog Number:
AG00198W
Chemical Name:
Phosphonium, tris(4-methylphenyl)(3-phenyl-2-propen-1-yl)-, bromide (1:1)
CAS Number:
138472-47-6
Molecular Formula:
C30H30BrP
Molecular Weight:
501.4370
IUPAC Name:
tris(4-methylphenyl)-(3-phenylprop-2-enyl)phosphanium;bromide
InChI:
InChI=1S/C30H30P.BrH/c1-24-11-17-28(18-12-24)31(29-19-13-25(2)14-20-29,30-21-15-26(3)16-22-30)23-7-10-27-8-5-4-6-9-27;/h4-22H,23H2,1-3H3;1H/q+1;/p-1
InChI Key:
BLUPEHYOJXQVJI-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)[P+](c1ccc(cc1)C)(c1ccc(cc1)C)CC=Cc1ccccc1.[Br-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.127g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
501.448g/mol
Monoisotopic Mass:
500.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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