CID 140826953

C8H8Cl3Si — CID 140826953

IUPAC—
SMILESCc1cccc(Cl)c1C[Si](Cl)Cl
InChIInChI=1S/C8H8Cl3Si/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5H2,1H3
InChIKeyZNNDLKWSTBGUPO-UHFFFAOYSA-N
MW238.60 g/mol
LogP3.70
Rot. Bonds2

About CID 140826953

CID 140826953 (PubChem CID 140826953) has the molecular formula C8H8Cl3Si and a molecular weight of 238.60 g/mol.

Molecular Properties

Compound NameCID 140826953
PubChem CID140826953
Molecular FormulaC8H8Cl3Si
Molecular Weight238.60 g/mol
Exact Mass236.95
IUPAC Name—
SMILESCc1cccc(Cl)c1C[Si](Cl)Cl
InChIInChI=1S/C8H8Cl3Si/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5H2,1H3
InChIKeyZNNDLKWSTBGUPO-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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CID 70611022
2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
(2,6-dichlorophenyl)methyl-methyldiazene
CID 123418574
3-(2,6-dichlorophenyl)propane-1-thiol
CID 83924894
2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 140826953?
The IUPAC name of CID 140826953 (CID 140826953) is not available.
What is the SMILES notation for CID 140826953?
The canonical SMILES for CID 140826953 is Cc1cccc(Cl)c1C[Si](Cl)Cl.
What is the InChIKey of CID 140826953?
The InChIKey is ZNNDLKWSTBGUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3Si/c1-6-3-2-4-8(9)7(6)5-12(10)11/h2-4H,5H2,1H3.
What are the key properties of CID 140826953?
CID 140826953 has a molecular weight of 238.60 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140826953 is sourced from PubChem (CID 140826953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).