CID 134889090

C9H13Cl3Ti — CID 134889090

IUPAC—
SMILESCC(C)(C)C1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C9H13.3ClH.Ti/c1-9(2,3)8-6-4-5-7-8;;;;/h4-7H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyXJISEWFWRJRDDW-UHFFFAOYSA-K
MW275.43 g/mol
LogP4.80
Rot. Bonds

About CID 134889090

CID 134889090 (PubChem CID 134889090) has the molecular formula C9H13Cl3Ti and a molecular weight of 275.43 g/mol.

Molecular Properties

Compound NameCID 134889090
PubChem CID134889090
Molecular FormulaC9H13Cl3Ti
Molecular Weight275.43 g/mol
Exact Mass273.96
IUPAC Name—
SMILESCC(C)(C)C1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C9H13.3ClH.Ti/c1-9(2,3)8-6-4-5-7-8;;;;/h4-7H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyXJISEWFWRJRDDW-UHFFFAOYSA-K
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134889090?
The IUPAC name of CID 134889090 (CID 134889090) is not available.
What is the SMILES notation for CID 134889090?
The canonical SMILES for CID 134889090 is CC(C)(C)C1=CC=C[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134889090?
The InChIKey is XJISEWFWRJRDDW-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H13.3ClH.Ti/c1-9(2,3)8-6-4-5-7-8;;;;/h4-7H,1-3H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134889090?
CID 134889090 has a molecular weight of 275.43 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134889090 is sourced from PubChem (CID 134889090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).