Synonyms
3-Methyl-6-propan-2-ylcyclohexa-1,4-diene
IUPAC Name
di(pyrazol-1-yl)boron;ethanimine;3-methyl-6-propan-2-ylcyclohexa-1,4-diene;ruthenium(2+);trifluoromethanesulfonate;
Molecular Weight
573.4
Molecular Formula
C19H26BF3N5O3RuS
Canonical SMILES
[B](N1C=CC=N1)N2C=CC=N2.C[C]=N.CC1C=CC(C=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]
InChI
InChI=1S/C10H16.C6H6BN4.C2H4N.CHF3O3S.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-3-8-10(5-1)7-11-6-2-4-9-11;1-2-3;2-1(3,4)8(5,6)7;/h4-10H,1-3H3;1-6H;3H,1H3;(H,5,6,7);/q;+2/p-1
InChI Key
WZSBQJNPTYRUOV-UHFFFAOYSA-M
Purity
98%
Appearance
Yellow powder
Complexity
410
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
0
Exact Mass
574.084491
Formal Charge
1
H-Bond Acceptor
9
H-Bond Donor
1
Heavy Atom Count
33
Monoisotopic Mass
574.084491
Rotatable Bond Count
3
Topological Polar Surface Area
125 Ų
