CID 135046324

C7H9Cl3Ti — CID 135046324

IUPAC—
SMILESCC1=CC=C(C)[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C7H9.3ClH.Ti/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyFEVJULJWTHKIJH-UHFFFAOYSA-K
MW247.38 g/mol
LogP4.16
Rot. Bonds

About CID 135046324

CID 135046324 (PubChem CID 135046324) has the molecular formula C7H9Cl3Ti and a molecular weight of 247.38 g/mol.

Molecular Properties

Compound NameCID 135046324
PubChem CID135046324
Molecular FormulaC7H9Cl3Ti
Molecular Weight247.38 g/mol
Exact Mass245.92
IUPAC Name—
SMILESCC1=CC=C(C)[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C7H9.3ClH.Ti/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyFEVJULJWTHKIJH-UHFFFAOYSA-K
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135046324?
The IUPAC name of CID 135046324 (CID 135046324) is not available.
What is the SMILES notation for CID 135046324?
The canonical SMILES for CID 135046324 is CC1=CC=C(C)[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 135046324?
The InChIKey is FEVJULJWTHKIJH-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H9.3ClH.Ti/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 135046324?
CID 135046324 has a molecular weight of 247.38 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046324 is sourced from PubChem (CID 135046324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).