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121955-17-7 | Phosphonium, ([2,2'-bipyridin]-5-ylmethyl)triphenyl-, bromide (1:1)
CAS No: 121955-17-7 Catalog No: AG0016GK MDL No:
Product Description
Catalog Number:
AG0016GK
Chemical Name:
Phosphonium, ([2,2'-bipyridin]-5-ylmethyl)triphenyl-, bromide (1:1)
CAS Number:
121955-17-7
Molecular Formula:
C29H24BrN2P
Molecular Weight:
511.3920
IUPAC Name:
triphenyl-[(6-pyridin-2-ylpyridin-3-yl)methyl]phosphanium;bromide
InChI:
InChI=1S/C29H24N2P.BrH/c1-4-12-25(13-5-1)32(26-14-6-2-7-15-26,27-16-8-3-9-17-27)23-24-19-20-29(31-22-24)28-18-10-11-21-30-28;/h1-22H,23H2;1H/q+1;/p-1
InChI Key:
YDGQJPYDLFAESI-UHFFFAOYSA-M
SMILES:
c1ccc(nc1)c1ccc(cn1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.086g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.403g/mol
Monoisotopic Mass:
510.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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