chlorocyclohexane;1,2-dichlorobenzene

C12H15Cl3 — CID 70586703

IUPACchlorocyclohexane;1,2-dichlorobenzene
SMILESClC1CCCCC1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H11Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;6H,1-5H2
InChIKeySABHCUSJWVWIDU-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.55
Rot. Bonds

About chlorocyclohexane;1,2-dichlorobenzene

chlorocyclohexane;1,2-dichlorobenzene (PubChem CID 70586703) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is chlorocyclohexane;1,2-dichlorobenzene.

Molecular Properties

Compound Namechlorocyclohexane;1,2-dichlorobenzene
PubChem CID70586703
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Namechlorocyclohexane;1,2-dichlorobenzene
SMILESClC1CCCCC1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H11Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;6H,1-5H2
InChIKeySABHCUSJWVWIDU-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.61
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chlorocyclohexane;1,2-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chlorocyclohexane;1,2-dichlorobenzene?
The IUPAC name of chlorocyclohexane;1,2-dichlorobenzene (CID 70586703) is chlorocyclohexane;1,2-dichlorobenzene.
What is the SMILES notation for chlorocyclohexane;1,2-dichlorobenzene?
The canonical SMILES for chlorocyclohexane;1,2-dichlorobenzene is ClC1CCCCC1.Clc1ccccc1Cl.
What is the InChIKey of chlorocyclohexane;1,2-dichlorobenzene?
The InChIKey is SABHCUSJWVWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C6H11Cl/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;6H,1-5H2.
What are the key properties of chlorocyclohexane;1,2-dichlorobenzene?
chlorocyclohexane;1,2-dichlorobenzene has a molecular weight of 265.61 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocyclohexane;1,2-dichlorobenzene is sourced from PubChem (CID 70586703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).