CID 135048557

C11H12Cl2Ti — CID 135048557

IUPAC—
SMILESC[C]1[CH][CH][CH][CH]1.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C6H7.C5H5.2ClH.Ti/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2-5H,1H3;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyNWFWQTNBQMYLDD-UHFFFAOYSA-L
MW262.99 g/mol
LogP3.81
Rot. Bonds

About CID 135048557

CID 135048557 (PubChem CID 135048557) has the molecular formula C11H12Cl2Ti and a molecular weight of 262.99 g/mol.

Molecular Properties

Compound NameCID 135048557
PubChem CID135048557
Molecular FormulaC11H12Cl2Ti
Molecular Weight262.99 g/mol
Exact Mass261.98
IUPAC Name—
SMILESC[C]1[CH][CH][CH][CH]1.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C6H7.C5H5.2ClH.Ti/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2-5H,1H3;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyNWFWQTNBQMYLDD-UHFFFAOYSA-L
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.99
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135048557?
The IUPAC name of CID 135048557 (CID 135048557) is not available.
What is the SMILES notation for CID 135048557?
The canonical SMILES for CID 135048557 is C[C]1[CH][CH][CH][CH]1.Cl[Ti]Cl.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 135048557?
The InChIKey is NWFWQTNBQMYLDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7.C5H5.2ClH.Ti/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2-5H,1H3;1-5H;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 135048557?
CID 135048557 has a molecular weight of 262.99 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048557 is sourced from PubChem (CID 135048557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).