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13703-27-0 | Phosphonium, 1,1'-(2-hydroxy-1,3-propanediyl)bis[1,1,1-triphenyl-, bromide (1:2)
CAS No: 13703-27-0 Catalog No: AG0012QH MDL No:
Product Description
Catalog Number:
AG0012QH
Chemical Name:
Phosphonium, 1,1'-(2-hydroxy-1,3-propanediyl)bis[1,1,1-triphenyl-, bromide (1:2)
CAS Number:
13703-27-0
Molecular Formula:
C39H36Br2OP2
Molecular Weight:
742.4581
IUPAC Name:
(2-hydroxy-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dibromide
InChI:
InChI=1S/C39H36OP2.2BrH/c40-33(31-41(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)32-42(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39;;/h1-30,33,40H,31-32H2;2*1H/q+2;;/p-2
InChI Key:
YOSBLZKAJZONEK-UHFFFAOYSA-L
SMILES:
OC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
742.059g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
742.472g/mol
Monoisotopic Mass:
740.061g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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