benzoic acid;titanium;trihydrochloride

C7H9Cl3O2Ti — CID 173406150

IUPACbenzoic acid;titanium;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)c1ccccc1.[Ti]
InChIInChI=1S/C7H6O2.3ClH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;
InChIKeyBMQGYDAVOSHQMP-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.65
Rot. Bonds1

About benzoic acid;titanium;trihydrochloride

benzoic acid;titanium;trihydrochloride (PubChem CID 173406150) has the molecular formula C7H9Cl3O2Ti and a molecular weight of 279.37 g/mol. Its IUPAC name is benzoic acid;titanium;trihydrochloride.

Molecular Properties

Compound Namebenzoic acid;titanium;trihydrochloride
PubChem CID173406150
Molecular FormulaC7H9Cl3O2Ti
Molecular Weight279.37 g/mol
Exact Mass277.91
IUPAC Namebenzoic acid;titanium;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)c1ccccc1.[Ti]
InChIInChI=1S/C7H6O2.3ClH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;
InChIKeyBMQGYDAVOSHQMP-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;titanium;trihydrochloride?
The IUPAC name of benzoic acid;titanium;trihydrochloride (CID 173406150) is benzoic acid;titanium;trihydrochloride.
What is the SMILES notation for benzoic acid;titanium;trihydrochloride?
The canonical SMILES for benzoic acid;titanium;trihydrochloride is Cl.Cl.Cl.O=C(O)c1ccccc1.[Ti].
What is the InChIKey of benzoic acid;titanium;trihydrochloride?
The InChIKey is BMQGYDAVOSHQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.3ClH.Ti/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);3*1H;.
What are the key properties of benzoic acid;titanium;trihydrochloride?
benzoic acid;titanium;trihydrochloride has a molecular weight of 279.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;titanium;trihydrochloride is sourced from PubChem (CID 173406150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).