CID 134981461

C7H7Cl3Ti — CID 134981461

IUPAC—
SMILESC=CC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C7H7.3ClH.Ti/c1-2-7-5-3-4-6-7;;;;/h2-6H,1H2;3*1H;/q;;;;+3/p-3
InChIKeyBOEXTZIUYYGNBW-UHFFFAOYSA-K
MW245.36 g/mol
LogP3.94
Rot. Bonds1

About CID 134981461

CID 134981461 (PubChem CID 134981461) has the molecular formula C7H7Cl3Ti and a molecular weight of 245.36 g/mol.

Molecular Properties

Compound NameCID 134981461
PubChem CID134981461
Molecular FormulaC7H7Cl3Ti
Molecular Weight245.36 g/mol
Exact Mass243.91
IUPAC Name—
SMILESC=CC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C7H7.3ClH.Ti/c1-2-7-5-3-4-6-7;;;;/h2-6H,1H2;3*1H;/q;;;;+3/p-3
InChIKeyBOEXTZIUYYGNBW-UHFFFAOYSA-K
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134981461?
The IUPAC name of CID 134981461 (CID 134981461) is not available.
What is the SMILES notation for CID 134981461?
The canonical SMILES for CID 134981461 is C=CC1=CC=C[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134981461?
The InChIKey is BOEXTZIUYYGNBW-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H7.3ClH.Ti/c1-2-7-5-3-4-6-7;;;;/h2-6H,1H2;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134981461?
CID 134981461 has a molecular weight of 245.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981461 is sourced from PubChem (CID 134981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).