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Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)

CAS
205319-10-4
Catalog Number
ACM205319104
Category
Organic Phosphine Compounds
Molecular Weight
755.952g/mol
Molecular Formula
C39H32Cl2OP2Pd;

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Specification

Synonyms
DICHLORO[9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE]PALLADIUM(II);205319-10-4;PdCl2(Xant-Phos);SCHEMBL12466735;AKOS024462646;SC10463;TRA0057276;ST24046492;Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II), 95%;
IUPAC Name
dichloropalladium;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;
Canonical SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.Cl[Pd]Cl;
InChI
InChI=1S/C39H32OP2.2ClH.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;;;/h3-28H,1-2H3;2*1H;/q;;;+2/p-2;
InChI Key
HEYONDYPXIUDCK-UHFFFAOYSA-L;
Complexity
734
Covalently-Bonded Unit Count
2
Exact Mass
754.034g/mol
H-Bond Acceptor
1
Heavy Atom Count
45
Monoisotopic Mass
754.034g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
9.2A^2
What is the molecular formula of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The molecular formula is C39H32Cl2OP2Pd.

What is the molecular weight of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The molecular weight is 755.9 g/mol.

What is the IUPAC name of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The IUPAC name is dichloropalladium;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane.

What is the InChI of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The InChI is InChI=1S/C39H32OP2.2ClH.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;;;/h3-28H,1-2H3;2*1H;/q;;;+2/p-2.

What is the Canonical SMILES of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The Canonical SMILES is CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.Cl[Pd]Cl.

What is the CAS number of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The CAS number is 205319-10-4.

What is the EC number of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The EC number is 685-312-0.

What is the hydrogen bond donor count of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The hydrogen bond acceptor count is 1.

What is the rotatable bond count of Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)?

The rotatable bond count is 6.

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