Bis(acetonitrile)(cyclooctadiene)rhodium tetrafluoroborate

Catalog Number	ACM32679020-1
CAS	32679-02-0
Structure
Synonyms	Acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
Molecular Weight	380
Molecular Formula	C12H18BF4N2Rh
Canonical SMILES	[B-](F)(F)(F)F.CC#N.CC#N.C1CC=CCCC=C1.[Rh]
InChI	InChI=1S/C8H12.2C2H3N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1H3;/q;-1;/b2-1-,8-7-;
InChI Key	ZIBLHOBPBGAKNV-SUESZSCISA-N
Purity	99%
Appearance	Yellow powder
Complexity	121
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	380.05541
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.CC#N.CC#N.C1/C=C\CC/C=C\C1.[Rh]
Monoisotopic Mass	380.05541
Rotatable Bond Count	0
Topological Polar Surface Area	47.6 Ų