tribromotitanium;dihydrate

H4Br3O2Ti — CID 175767925

IUPACtribromotitanium;dihydrate
SMILESBr[Ti](Br)Br.O.O
InChIInChI=1S/3BrH.2H2O.Ti/h3*1H;2*1H2;/q;;;;;+3/p-3
InChIKeyCEUJCEGNXWSTNY-UHFFFAOYSA-K
MW323.61 g/mol
LogP0.88
Rot. Bonds

About tribromotitanium;dihydrate

tribromotitanium;dihydrate (PubChem CID 175767925) has the molecular formula H4Br3O2Ti and a molecular weight of 323.61 g/mol. Its IUPAC name is tribromotitanium;dihydrate.

Molecular Properties

Compound Nametribromotitanium;dihydrate
PubChem CID175767925
Molecular FormulaH4Br3O2Ti
Molecular Weight323.61 g/mol
Exact Mass320.72
IUPAC Nametribromotitanium;dihydrate
SMILESBr[Ti](Br)Br.O.O
InChIInChI=1S/3BrH.2H2O.Ti/h3*1H;2*1H2;/q;;;;;+3/p-3
InChIKeyCEUJCEGNXWSTNY-UHFFFAOYSA-K
XLogP0.88
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tribromotitanium;dihydrate?
The IUPAC name of tribromotitanium;dihydrate (CID 175767925) is tribromotitanium;dihydrate.
What is the SMILES notation for tribromotitanium;dihydrate?
The canonical SMILES for tribromotitanium;dihydrate is Br[Ti](Br)Br.O.O.
What is the InChIKey of tribromotitanium;dihydrate?
The InChIKey is CEUJCEGNXWSTNY-UHFFFAOYSA-K. The full InChI is InChI=1S/3BrH.2H2O.Ti/h3*1H;2*1H2;/q;;;;;+3/p-3.
What are the key properties of tribromotitanium;dihydrate?
tribromotitanium;dihydrate has a molecular weight of 323.61 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribromotitanium;dihydrate is sourced from PubChem (CID 175767925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).