tris(acetonitrile) pentamethylcyclopenta-2,4-dien-1-yl trifluoromethanesulfonic acid ruthenium

tris(acetonitrile) pentamethylcyclopenta-2,4-dien-1-yl trifluoromethanesulfonic acid ruthenium

CAS: 113860-02-9

Formula: C17H25F3N3O3RuS

SMILES: [Ru].CC#N.CC#N.CC#N.OS(=O)(=O)C(F)(F)F.C[C]1C(C)=C(C)C(C)=C1C

IUPAC: tris(acetonitrile) pentamethylcyclopenta-2,4-dien-1-yl trifluoromethanesulfonic acid ruthenium

InChI: InChI=1S/C10H15.3C2H3N.CHF3O3S.Ru/c1-6-7(2)9(4)10(5)8(6)3;31-2-3;2-1(3,4)8(5,6)7;/h1-5H3;31H3;(H,5,6,7);

Composition: C (40.07%), H (4.95%), F (11.19%), N (8.25%), O (9.42%), Ru (19.84%), S (6.29%)

Molar Mass: 509.53

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	510.061216
Formal Charge	0
FSP3	0.59
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	JJKTXFALMRBAHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	46.17
Topological Polar Surface Area	0
Polarizability	17.9
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	113860-02-9		$75.66$75.66