Carbonylchlorohydrotris(triphenylphosphine)ruthenium

Catalog Number	ACM16971338-2
CAS	16971-33-8
Structure
Synonyms	Hydridochlorocarbonyltris-(triphenylphosphino)-ruthenium
Molecular Weight	954.4
Molecular Formula	C55H48ClOP3Ru
Canonical SMILES	C=O.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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[RuH]
InChI	InChI=1S/3C18H15P.CH2O.ClH.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;1H2;1H;/q;+1;/p-1
InChI Key	IOCHTJOKPQTFJY-UHFFFAOYSA-M
Melting Point	204-206 °C
Purity	99%
Appearance	White like powder
Complexity	206
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	954.164995
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Monoisotopic Mass	954.164995
Rotatable Bond Count	9
Topological Polar Surface Area	17.1 Ų