![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/172418-32-5.gif)
Synonyms
HERRMANN'S PALLADACYCLE; I14-33199; trans-Di-|I-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium; CATACXIUM(R) C; Herrmann inverted exclamation markas palladacycle; trans-Bis(acetato)bis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium(II); AKOS015908997; trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); J-525029; Herrmann-Beller palladacycle;
IUPAC Name
acetic acid;(2-methanidylphenyl)-bis(2-methylphenyl)phosphane;palladium;
Molecular Weight
939.674g/mol
Molecular Formula
C46H48O4P2Pd2-2;
Canonical SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd];
InChI
InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);;/q2*-1;;;;;
InChI Key
VWGJFGJEXBXEDJ-UHFFFAOYSA-N;
Complexity
409
Covalently-Bonded Unit Count
6
Exact Mass
940.11g/mol
Formal Charge
-2
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
54
Monoisotopic Mass
938.11g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
74.6A^2
