Mrv0541 02241205212D          

 10  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.1375    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.0716   -0.2750    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7861    0.1375    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.9250    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3375    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9250    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359   -1.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -2.3375    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -1.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  6   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1
M  END
> <DATABASE_ID>
T3D1572

> <DATABASE_NAME>
t3db

> <SMILES>
[Pd].[CH2-][C-]=[CH-].[CH2-][C-]=[CH-].Cl[Pd]Cl

> <INCHI_IDENTIFIER>
InChI=1S/2C3H3.2ClH.2Pd/c2*1-3-2;;;;/h2*1H,2H2;2*1H;;/q2*-3;;;;+2/p-2

> <INCHI_KEY>
UMTYIYKHKMRYID-UHFFFAOYSA-L

> <FORMULA>
C6H6Cl2Pd2

> <MOLECULAR_WEIGHT>
361.86

> <EXACT_MASS>
359.79162178

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.651298468395531

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-6

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloropalladium bis(prop-1-ene-1,2,3-triide) palladium

> <JCHEM_LOGP>
1.493443911333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
21.0253

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
palladium chloride bis(prop-1-ene-1,2,3-triide) palladium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1572

> <NAME>
Allylpalladium chloride dimer

> <CAS>
12012-95-2

> <SYNONYMS>
.pi.-allyl palladium chloride; .pi.-allylpalladium chloride dimer; Allyl palladium chloride dimer; Allylpalladium chloride; Bis(.pi.-allyl)dichlorodipalladium; Bis(.pi.-allylpalladium chloride); Di-.mu.-chlorodi-.pi.-allyldipalladium; Di-.pi.-allyldi-.mu.-chlorodipalladium; Diallyldichlorodipalladium; Palladium allyl chloride dimer; Palladium chloride, allyl- (dimer)

> <TYPES>
Organic Compound; Aluminum Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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