1-chloro-1H-indene;titanium;dihydrochloride

C9H9Cl3Ti — CID 174637282

IUPAC1-chloro-1H-indene;titanium;dihydrochloride
SMILESCl.Cl.ClC1C=Cc2ccccc21.[Ti]
InChIInChI=1S/C9H7Cl.2ClH.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;;;/h1-6,9H;2*1H;
InChIKeyJHXMENCVUGIQME-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.83
Rot. Bonds

About 1-chloro-1H-indene;titanium;dihydrochloride

1-chloro-1H-indene;titanium;dihydrochloride (PubChem CID 174637282) has the molecular formula C9H9Cl3Ti and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-chloro-1H-indene;titanium;dihydrochloride.

Molecular Properties

Compound Name1-chloro-1H-indene;titanium;dihydrochloride
PubChem CID174637282
Molecular FormulaC9H9Cl3Ti
Molecular Weight271.40 g/mol
Exact Mass269.92
IUPAC Name1-chloro-1H-indene;titanium;dihydrochloride
SMILESCl.Cl.ClC1C=Cc2ccccc21.[Ti]
InChIInChI=1S/C9H7Cl.2ClH.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;;;/h1-6,9H;2*1H;
InChIKeyJHXMENCVUGIQME-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 10809432
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CID 119077465
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CID 14298803
1H-inden-1-yl(trimethyl)plumbane
CID 23269464
CID 164810428
CID 164810428
CID 173341259
CID 173341259
cobalt;1H-inden-1-ylmethanone
CID 150174456
1H-inden-1-ylmethanamine;hydrochloride
CID 67915005
1-methanidyl-1H-indene;zirconium
CID 172710761
hydron;1H-inden-1-ol
CID 174812636
tetrakis(1H-inden-1-yl)silane
CID 18688182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1H-indene;titanium;dihydrochloride?
The IUPAC name of 1-chloro-1H-indene;titanium;dihydrochloride (CID 174637282) is 1-chloro-1H-indene;titanium;dihydrochloride.
What is the SMILES notation for 1-chloro-1H-indene;titanium;dihydrochloride?
The canonical SMILES for 1-chloro-1H-indene;titanium;dihydrochloride is Cl.Cl.ClC1C=Cc2ccccc21.[Ti].
What is the InChIKey of 1-chloro-1H-indene;titanium;dihydrochloride?
The InChIKey is JHXMENCVUGIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl.2ClH.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;;;/h1-6,9H;2*1H;.
What are the key properties of 1-chloro-1H-indene;titanium;dihydrochloride?
1-chloro-1H-indene;titanium;dihydrochloride has a molecular weight of 271.40 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1H-indene;titanium;dihydrochloride is sourced from PubChem (CID 174637282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).