Structure

XantPhos-Pd-G2

CAS
1375325-77-1
Catalog Number
ACM1375325771
Category
Palladium series catalysts
Molecular Weight
888.721g/mol
Molecular Formula
C51H42ClNOP2Pd;

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Specification

Synonyms
1375325-77-1;Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethyl xanthene)-2-(2-amino-1,1-biphenyl)]palladium(II);XantPhos-Pd-G2;
IUPAC Name
chloropalladium(1+);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;2-phenylaniline;
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.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+];
InChI
InChI=1S/C39H32OP2.C12H10N.ClH.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;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h3-28H,1-2H3;1-6,8-9H,13H2;1H;/q;-1;;+2/p-1;
InChI Key
FAEFBQZYGQRYRN-UHFFFAOYSA-M;
Complexity
1000
Covalently-Bonded Unit Count
3
Exact Mass
887.146g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
57
Monoisotopic Mass
887.146g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
35.2A^2
What is the molecular formula of XantPhos-Pd-G2?

The molecular formula of XantPhos-Pd-G2 is C51H42ClNOP2Pd.

What is the molecular weight of XantPhos-Pd-G2?

The molecular weight of XantPhos-Pd-G2 is 888.7 g/mol.

What are the synonyms for XantPhos-Pd-G2?

The synonyms for XantPhos-Pd-G2 include Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethyl xanthene)-2-(2-amino-1,1-biphenyl)]palladium(II) and 2-phenylaniline.

What is the IUPAC name of XantPhos-Pd-G2?

The IUPAC name of XantPhos-Pd-G2 is chloropalladium(1+);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;2-phenylaniline.

What is the InChIKey of XantPhos-Pd-G2?

The InChIKey of XantPhos-Pd-G2 is FAEFBQZYGQRYRN-UHFFFAOYSA-M.

What is the CAS number of XantPhos-Pd-G2?

The CAS number of XantPhos-Pd-G2 is 1375325-77-1.

How many hydrogen bond donor counts does XantPhos-Pd-G2 have?

XantPhos-Pd-G2 has 1 hydrogen bond donor count.

What is the topological polar surface area of XantPhos-Pd-G2?

The topological polar surface area of XantPhos-Pd-G2 is 35.2 Ų.

Does XantPhos-Pd-G2 contain any defined atom stereocenters?

No, XantPhos-Pd-G2 does not contain any defined atom stereocenters.

Is the compound canonicalized?

Yes, the compound XantPhos-Pd-G2 is canonicalized according to PubChem.

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