titanium carbonitride
General Information
| Mainterm | titanium carbonitride |
| CAS Reg.No.(or other ID) | 12654-86-3 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 121233284 |
| IUPAC Name | azanylidynetitanium;methylidynetitanium |
| InChI | InChI=1S/CH.N.2Ti/h1H;;; |
| InChI Key | IKXYWFXSOKKOHU-UHFFFAOYSA-N |
| Canonical SMILES | C#[Ti].N#[Ti] |
| Molecular Formula | CHNTi2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 122.76 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Complexity | 20.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A C A A A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 23.8 |
| Monoisotopic Mass | 122.907 |
| Exact Mass | 122.907 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem