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40817-03-6 | (1,4-Phenylenebis(methylene););bis(triphenylphosphonium); bromide
CAS No: 40817-03-6 Catalog No: AG003TK1 MDL No:MFCD00011914
Product Description
Catalog Number:
AG003TK1
Chemical Name:
(1,4-Phenylenebis(methylene););bis(triphenylphosphonium); bromide
CAS Number:
40817-03-6
Molecular Formula:
C44H38Br2P2
Molecular Weight:
788.5280
MDL Number:
MFCD00011914
IUPAC Name:
triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dibromide
InChI:
InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChI Key:
ZZQVVCXWFPGKJD-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
EC Number:
255-092-7
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.08g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
788.544g/mol
Monoisotopic Mass:
786.082g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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