Synonyms
TPC-I031; AKOS024437549; CTK3J4362; DSSTox_CID_1354; CAS-1271-19-8; ANW-41396; DTXSID3021354; RTR-003913; KSC494G6F; SCHEMBL184055;
IUPAC Name
cyclopenta-1,3-diene;titanium(4+);dichloride;
Molecular Weight
248.957g/mol
Molecular Formula
C10H10Cl2Ti;
Canonical SMILES
C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4];
InChI
InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2;
InChI Key
JAGHDVYKBYUAFD-UHFFFAOYSA-L;
Melting Point
552 ° F (NTP, 1992);
Density
1.6 (NTP, 1992);
Solubility
Decomposes (NTP, 1992);
Complexity
163
Covalently-Bonded Unit Count
5
EC Number
215-035-9
Exact Mass
247.964g/mol
H-Bond Acceptor
4
Heavy Atom Count
13
Monoisotopic Mass
247.964g/mol
Topological Polar Surface Area
0A^2
UN Number
3261
