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12131-44-1 | Palladium(π-cinnamyl) chloride dimer
CAS No: 12131-44-1 Catalog No: AG0035G8 MDL No:MFCD16621470
Product Description
Catalog Number:
AG0035G8
Chemical Name:
Palladium(π-cinnamyl) chloride dimer
CAS Number:
12131-44-1
Molecular Formula:
C18H18Cl2Pd2
Molecular Weight:
518.0815
MDL Number:
MFCD16621470
IUPAC Name:
palladium(2+);prop-2-enylbenzene;dichloride
InChI:
InChI=1S/2C9H9.2ClH.2Pd/c2*1-2-6-9-7-4-3-5-8-9;;;;/h2*2-8H,1H2;2*1H;;/q2*-1;;;2*+2/p-2
InChI Key:
PHDNDSSMEIRHSI-UHFFFAOYSA-L
SMILES:
[CH2-]/C=C/c1ccccc1.[CH2-]/C=C/c1ccccc1.[Cl-].[Cl-].[Pd+2].[Pd+2]
Properties
Complexity:
78
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.886g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.082g/mol
Monoisotopic Mass:
515.886g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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