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478980-04-0 | Allyl(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)palladium(IV) chloride
CAS No: 478980-04-0 Catalog No: AG003NQ8 MDL No:MFCD09039069
Product Description
Catalog Number:
AG003NQ8
Chemical Name:
Allyl(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)palladium(IV) chloride
CAS Number:
478980-04-0
Molecular Formula:
C24H29ClN2Pd
Molecular Weight:
487.3735
MDL Number:
MFCD09039069
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene
InChI:
InChI=1S/C21H25N2.C3H6.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-2;;/h7-13H,1-6H3;3H,1H2,2H3;1H;/q-1;;;+2/p-1
InChI Key:
FVAVKYGEMJJYEL-UHFFFAOYSA-M
SMILES:
C=CC[Pd](=c1n(ccn1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)Cl
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.396g/mol
Monoisotopic Mass:
488.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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