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106423-29-4 | But-2-ene-1,4-diylbis(triphenylphosphonium) chloride
CAS No: 106423-29-4 Catalog No: AG003GTE MDL No:MFCD00031713
Product Description
Catalog Number:
AG003GTE
Chemical Name:
But-2-ene-1,4-diylbis(triphenylphosphonium) chloride
CAS Number:
106423-29-4
Molecular Formula:
C40H36Cl2P2
Molecular Weight:
649.5674
MDL Number:
MFCD00031713
IUPAC Name:
triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]phosphanium;dichloride
InChI:
InChI=1S/C40H36P2.2ClH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-32H,33-34H2;2*1H/q+2;;/p-2/b20-19+;;
InChI Key:
OOACLPDZHDFCQP-LLIZZRELSA-L
SMILES:
C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
648.167g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
649.576g/mol
Monoisotopic Mass:
648.167g/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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