benzene;titanium(2+);dichloride

C12H10Cl2Ti-2 — CID 171374998

IUPACbenzene;titanium(2+);dichloride
SMILES[Cl-].[Cl-].[Ti+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2ClH.Ti/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyMHHUSBZJPQTUKS-UHFFFAOYSA-L
MW272.99 g/mol
LogP-3.02
Rot. Bonds

About benzene;titanium(2+);dichloride

benzene;titanium(2+);dichloride (PubChem CID 171374998) has the molecular formula C12H10Cl2Ti-2 and a molecular weight of 272.99 g/mol. Its IUPAC name is benzene;titanium(2+);dichloride.

Molecular Properties

Compound Namebenzene;titanium(2+);dichloride
PubChem CID171374998
Molecular FormulaC12H10Cl2Ti-2
Molecular Weight272.99 g/mol
Exact Mass271.96
IUPAC Namebenzene;titanium(2+);dichloride
SMILES[Cl-].[Cl-].[Ti+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2ClH.Ti/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyMHHUSBZJPQTUKS-UHFFFAOYSA-L
XLogP-3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.99
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;titanium(2+);dichloride?
The IUPAC name of benzene;titanium(2+);dichloride (CID 171374998) is benzene;titanium(2+);dichloride.
What is the SMILES notation for benzene;titanium(2+);dichloride?
The canonical SMILES for benzene;titanium(2+);dichloride is [Cl-].[Cl-].[Ti+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;titanium(2+);dichloride?
The InChIKey is MHHUSBZJPQTUKS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5.2ClH.Ti/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of benzene;titanium(2+);dichloride?
benzene;titanium(2+);dichloride has a molecular weight of 272.99 g/mol, XLogP of -3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;titanium(2+);dichloride is sourced from PubChem (CID 171374998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).