dibromotitanium;1-methyl-1,2-dihydroinden-2-ide

C10H9Br2Ti- — CID 174700744

IUPACdibromotitanium;1-methyl-1,2-dihydroinden-2-ide
SMILESBr[Ti]Br.CC1[C-]=Cc2ccccc21
InChIInChI=1S/C10H9.2BrH.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyLPDGUTCLDCSNSO-UHFFFAOYSA-L
MW336.86 g/mol
LogP4.31
Rot. Bonds

About dibromotitanium;1-methyl-1,2-dihydroinden-2-ide

dibromotitanium;1-methyl-1,2-dihydroinden-2-ide (PubChem CID 174700744) has the molecular formula C10H9Br2Ti- and a molecular weight of 336.86 g/mol. Its IUPAC name is dibromotitanium;1-methyl-1,2-dihydroinden-2-ide.

Molecular Properties

Compound Namedibromotitanium;1-methyl-1,2-dihydroinden-2-ide
PubChem CID174700744
Molecular FormulaC10H9Br2Ti-
Molecular Weight336.86 g/mol
Exact Mass334.86
IUPAC Namedibromotitanium;1-methyl-1,2-dihydroinden-2-ide
SMILESBr[Ti]Br.CC1[C-]=Cc2ccccc21
InChIInChI=1S/C10H9.2BrH.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyLPDGUTCLDCSNSO-UHFFFAOYSA-L
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.31
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 dibromotitanium;1-methyl-1,2-dihydroinden-2-ide?
The IUPAC name of dibromotitanium;1-methyl-1,2-dihydroinden-2-ide (CID 174700744) is dibromotitanium;1-methyl-1,2-dihydroinden-2-ide.
What is the SMILES notation for dibromotitanium;1-methyl-1,2-dihydroinden-2-ide?
The canonical SMILES for dibromotitanium;1-methyl-1,2-dihydroinden-2-ide is Br[Ti]Br.CC1[C-]=Cc2ccccc21.
What is the InChIKey of dibromotitanium;1-methyl-1,2-dihydroinden-2-ide?
The InChIKey is LPDGUTCLDCSNSO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.2BrH.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dibromotitanium;1-methyl-1,2-dihydroinden-2-ide?
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide has a molecular weight of 336.86 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromotitanium;1-methyl-1,2-dihydroinden-2-ide is sourced from PubChem (CID 174700744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).