azanide;1H-inden-1-ide;titanium(4+);dichloride

C9H9Cl2NTi — CID 175964725

IUPACazanide;1H-inden-1-ide;titanium(4+);dichloride
SMILES[Cl-].[Cl-].[NH2-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2ClH.H2N.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyHHXSLPBZGOSLOK-UHFFFAOYSA-L
MW249.95 g/mol
LogP-2.72
Rot. Bonds

About azanide;1H-inden-1-ide;titanium(4+);dichloride

azanide;1H-inden-1-ide;titanium(4+);dichloride (PubChem CID 175964725) has the molecular formula C9H9Cl2NTi and a molecular weight of 249.95 g/mol. Its IUPAC name is azanide;1H-inden-1-ide;titanium(4+);dichloride.

Molecular Properties

Compound Nameazanide;1H-inden-1-ide;titanium(4+);dichloride
PubChem CID175964725
Molecular FormulaC9H9Cl2NTi
Molecular Weight249.95 g/mol
Exact Mass248.96
IUPAC Nameazanide;1H-inden-1-ide;titanium(4+);dichloride
SMILES[Cl-].[Cl-].[NH2-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2ClH.H2N.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyHHXSLPBZGOSLOK-UHFFFAOYSA-L
XLogP-2.72
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.95
LogP ≤ 5-2.72
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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CID 71421360
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1H-inden-1-ide;titanium;dihydrochloride
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CID 12823996
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CID 15303001
CID 22311255
CID 22311255
CID 173020182
CID 173020182
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
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dibromozirconium;1H-inden-1-ide
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Frequently Asked Questions

What is the IUPAC name of azanide;1H-inden-1-ide;titanium(4+);dichloride?
The IUPAC name of azanide;1H-inden-1-ide;titanium(4+);dichloride (CID 175964725) is azanide;1H-inden-1-ide;titanium(4+);dichloride.
What is the SMILES notation for azanide;1H-inden-1-ide;titanium(4+);dichloride?
The canonical SMILES for azanide;1H-inden-1-ide;titanium(4+);dichloride is [Cl-].[Cl-].[NH2-].[Ti+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of azanide;1H-inden-1-ide;titanium(4+);dichloride?
The InChIKey is HHXSLPBZGOSLOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.2ClH.H2N.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;2*1H;1H2;/q-1;;;-1;+4/p-2.
What are the key properties of azanide;1H-inden-1-ide;titanium(4+);dichloride?
azanide;1H-inden-1-ide;titanium(4+);dichloride has a molecular weight of 249.95 g/mol, XLogP of -2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;1H-inden-1-ide;titanium(4+);dichloride is sourced from PubChem (CID 175964725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).