dichlorotitanium;toluene

C7H8Cl2Ti — CID 174475913

IUPACdichlorotitanium;toluene
SMILESCc1ccccc1.Cl[Ti]Cl
InChIInChI=1S/C7H8.2ClH.Ti/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2
InChIKeyDAVNJWKAZBUZFU-UHFFFAOYSA-L
MW210.91 g/mol
LogP3.37
Rot. Bonds

About dichlorotitanium;toluene

dichlorotitanium;toluene (PubChem CID 174475913) has the molecular formula C7H8Cl2Ti and a molecular weight of 210.91 g/mol. Its IUPAC name is dichlorotitanium;toluene.

Molecular Properties

Compound Namedichlorotitanium;toluene
PubChem CID174475913
Molecular FormulaC7H8Cl2Ti
Molecular Weight210.91 g/mol
Exact Mass209.95
IUPAC Namedichlorotitanium;toluene
SMILESCc1ccccc1.Cl[Ti]Cl
InChIInChI=1S/C7H8.2ClH.Ti/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2
InChIKeyDAVNJWKAZBUZFU-UHFFFAOYSA-L
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.91
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;toluene?
The IUPAC name of dichlorotitanium;toluene (CID 174475913) is dichlorotitanium;toluene.
What is the SMILES notation for dichlorotitanium;toluene?
The canonical SMILES for dichlorotitanium;toluene is Cc1ccccc1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;toluene?
The InChIKey is DAVNJWKAZBUZFU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8.2ClH.Ti/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;toluene?
dichlorotitanium;toluene has a molecular weight of 210.91 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;toluene is sourced from PubChem (CID 174475913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).