CAS 141686-21-7 Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) ethanol adduct

Synonyms

141686-21-7;Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) ethanol adduct;CHLORO(HYDROTRIS(PYRAZOL-1-YL)BORATO)BIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II) ETHANOL ADDUCT;MFCD04038740;SC10257;Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II)-dichloromethane/ethanol adduct;

IUPAC Name

chlororuthenium(1+);di(pyrazol-1-yl)-(3H-pyrazol-2-yl)boron(1-);ethanol;triphenylphosphane;

Molecular Weight

919.2

Molecular Formula

C47H45BClN6OP2Ru

Canonical SMILES

[B-](N1CC=C=N1)(N2C=CC=N2)N3C=CC=N3.CCO.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]

InChI

InChI=1S/2C18H15P.C9H9BN6.C2H6O.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3;/h2*1-15H;1-5,7-8H,9H2;3H,2H2,1H3;1H;/q;-1;+2/p-1

InChI Key

YZFSHVVOAGLJLI-UHFFFAOYSA-M

Purity

95%

Appearance

Powder

Complexity

506

Covalently-Bonded Unit Count

Exact Mass

919.195507

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

919.195507

Rotatable Bond Count

Topological Polar Surface Area

71.5 Å²