Synonyms
58628-40-3;ACMC-1AZSP;SCHEMBL617245;CTK8C5736;AKOS025295497;TC-167693;
IUPAC Name
2-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride;
Molecular Weight
376.476g/mol
Molecular Formula
C16H22Cl2Zr;
Canonical SMILES
CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4];
InChI
InChI=1S/2C8H11.2ClH.Zr/c2*1-7(2)8-5-3-4-6-8;;;/h2*3,5,7H,4H2,1-2H3;2*1H;/q2*-1;;;+4/p-2;
InChI Key
ABBZQUCYJDLYEF-UHFFFAOYSA-L;
Complexity
293
Covalently-Bonded Unit Count
5
Exact Mass
374.015g/mol
H-Bond Acceptor
4
Heavy Atom Count
19
Monoisotopic Mass
374.015g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
0A^2
