Cyclooctadiene(hydroquinone)rhodium(I)tetrafluoroborate

Catalog Number	ACM120967706-1
CAS	120967-70-6
Structure
Synonyms	Benzene-1,4-diol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
Molecular Weight	408
Molecular Formula	C14H18BF4O2Rh
Canonical SMILES	[B-](F)(F)(F)F.C1CC=CCCC=C1.C1=CC(=CC=C1O)O.[Rh]
InChI	InChI=1S/C8H12.C6H6O2.BF4.Rh/c1-2-4-6-8-7-5-3-1;7-5-1-2-6(8)4-3-5;2-1(3,4)5;/h1-2,7-8H,3-6H2;1-4,7-8H;/q;-1;/b2-1-,8-7-;
InChI Key	AZTYAQCGFXPPHA-PHFPKPIQSA-N
Purity	97%+
Appearance	Powder
Exact Mass	408.03909
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1=CC(=CC=C1O)O.[Rh]
Monoisotopic Mass	408.03909
Rotatable Bond Count	0
Topological Polar Surface Area	40.5 Ų