1H-inden-1-ide;titanium;dihydrochloride

C9H9Cl2Ti- — CID 87738152

IUPAC1H-inden-1-ide;titanium;dihydrochloride
SMILESCl.Cl.[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;
InChIKeyODPLMBGMARHKEO-UHFFFAOYSA-N
MW235.94 g/mol
LogP3.40
Rot. Bonds

About 1H-inden-1-ide;titanium;dihydrochloride

1H-inden-1-ide;titanium;dihydrochloride (PubChem CID 87738152) has the molecular formula C9H9Cl2Ti- and a molecular weight of 235.94 g/mol. Its IUPAC name is 1H-inden-1-ide;titanium;dihydrochloride.

Molecular Properties

Compound Name1H-inden-1-ide;titanium;dihydrochloride
PubChem CID87738152
Molecular FormulaC9H9Cl2Ti-
Molecular Weight235.94 g/mol
Exact Mass234.96
IUPAC Name1H-inden-1-ide;titanium;dihydrochloride
SMILESCl.Cl.[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;
InChIKeyODPLMBGMARHKEO-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.94
LogP ≤ 53.40
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 1H-inden-1-ide;titanium;dihydrochloride?
The IUPAC name of 1H-inden-1-ide;titanium;dihydrochloride (CID 87738152) is 1H-inden-1-ide;titanium;dihydrochloride.
What is the SMILES notation for 1H-inden-1-ide;titanium;dihydrochloride?
The canonical SMILES for 1H-inden-1-ide;titanium;dihydrochloride is Cl.Cl.[Ti].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;titanium;dihydrochloride?
The InChIKey is ODPLMBGMARHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;.
What are the key properties of 1H-inden-1-ide;titanium;dihydrochloride?
1H-inden-1-ide;titanium;dihydrochloride has a molecular weight of 235.94 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;titanium;dihydrochloride is sourced from PubChem (CID 87738152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).