benzene;dichlorotitanium

C12H10Cl2Ti-2 — CID 12642478

IUPACbenzene;dichlorotitanium
SMILESCl[Ti]Cl.[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
LogP4.35
Rot. Bonds

About benzene;dichlorotitanium

benzene;dichlorotitanium (PubChem CID 12642478) has the molecular formula C12H10Cl2Ti-2 and a molecular weight of 272.99 g/mol. Its IUPAC name is benzene;dichlorotitanium.

Molecular Properties

Compound Namebenzene;dichlorotitanium
PubChem CID12642478
Molecular FormulaC12H10Cl2Ti-2
Molecular Weight272.99 g/mol
Exact Mass271.96
IUPAC Namebenzene;dichlorotitanium
SMILESCl[Ti]Cl.[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
XLogP4.35
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 ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of benzene;dichlorotitanium?
The IUPAC name of benzene;dichlorotitanium (CID 12642478) is benzene;dichlorotitanium.
What is the SMILES notation for benzene;dichlorotitanium?
The canonical SMILES for benzene;dichlorotitanium is Cl[Ti]Cl.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;dichlorotitanium?
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;dichlorotitanium?
benzene;dichlorotitanium has a molecular weight of 272.99 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dichlorotitanium is sourced from PubChem (CID 12642478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).