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Structure

Bromo[(2-(hydroxy-κO)methyl)phenylmethyl-κC](triphenylphosphine)palladium (II)

CAS
849417-33-0
Catalog Number
ACM849417330
Category
Other Products
Molecular Weight
569.775g/mol
Molecular Formula
C26H24BrOPPd;

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Specification

Synonyms
849417-33-0;Bromo[(2-(hydroxy-kappaO)methyl)phenylmethyl-kappaC](triphenylphosphine)palladium(II);SC10553;BROMO(2-(HYDROXY-K-O)METHYL)PHENYL-METHYL-K-C) (TRIPHENYLPHOSPHINE)-PALLADIUM(II);Bromo[(2-(hydroxy-|EO)methyl)phenylmethyl-|EC](triphenylphosphine)palladium (II);Bromo[(2-(hydroxy-kappaO)methyl)phenylmethyl-kappaC](triphenylphosphine)palladium (II);Bromo[(2-(hydroxy-kappaO)methyl)phenylmethyl-kappaC](triphenylphosphine)palladium (II), <=20 mol % Dibromo[mu-[1,2-phenylenebis(methylene);
IUPAC Name
bromopalladium(1+);(2-methanidylphenyl)methanol;triphenylphosphane;
Canonical SMILES
[CH2-]C1=CC=CC=C1CO.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Br[Pd+];
InChI
InChI=1S/C18H15P.C8H9O.BrH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-4-2-3-5-8(7)6-9;;/h1-15H;2-5,9H,1,6H2;1H;/q;-1;;+2/p-1;
InChI Key
ZKCFXTQIGPWAIH-UHFFFAOYSA-M;
Complexity
292
Covalently-Bonded Unit Count
3
Exact Mass
567.978g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
30
Monoisotopic Mass
567.978g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
20.2A^2
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