chlorobenzene;chloroform;1,2-dichlorobenzene

C13H10Cl6 — CID 159790050

IUPACchlorobenzene;chloroform;1,2-dichlorobenzene
SMILESClC(Cl)Cl.Clc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H5Cl.CHCl3/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4/h1-4H;1-5H;1H
InChIKeyNILFMTJUXZVDKZ-UHFFFAOYSA-N
MW378.94 g/mol
LogP7.32
Rot. Bonds

About chlorobenzene;chloroform;1,2-dichlorobenzene

chlorobenzene;chloroform;1,2-dichlorobenzene (PubChem CID 159790050) has the molecular formula C13H10Cl6 and a molecular weight of 378.94 g/mol. Its IUPAC name is chlorobenzene;chloroform;1,2-dichlorobenzene.

Molecular Properties

Compound Namechlorobenzene;chloroform;1,2-dichlorobenzene
PubChem CID159790050
Molecular FormulaC13H10Cl6
Molecular Weight378.94 g/mol
Exact Mass375.89
IUPAC Namechlorobenzene;chloroform;1,2-dichlorobenzene
SMILESClC(Cl)Cl.Clc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C6H5Cl.CHCl3/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4/h1-4H;1-5H;1H
InChIKeyNILFMTJUXZVDKZ-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.94
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chlorobenzene;chloroform;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

Related Compounds

chlorobenzene;1,2-dichlorobenzene
CID 22250607
benzene;chlorobenzene
CID 159657667
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
magnesium;chlorobenzene;chloride
CID 22400294
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
chlorobenzene;hydrazine
CID 69403092
potassium;chlorobenzene;hydride
CID 173115077
sodium;chlorobenzene;hydride
CID 173115235
azane;1,2-dichlorobenzene
CID 70584322
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene
CID 174792516

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;chloroform;1,2-dichlorobenzene?
The IUPAC name of chlorobenzene;chloroform;1,2-dichlorobenzene (CID 159790050) is chlorobenzene;chloroform;1,2-dichlorobenzene.
What is the SMILES notation for chlorobenzene;chloroform;1,2-dichlorobenzene?
The canonical SMILES for chlorobenzene;chloroform;1,2-dichlorobenzene is ClC(Cl)Cl.Clc1ccccc1.Clc1ccccc1Cl.
What is the InChIKey of chlorobenzene;chloroform;1,2-dichlorobenzene?
The InChIKey is NILFMTJUXZVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C6H5Cl.CHCl3/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4/h1-4H;1-5H;1H.
What are the key properties of chlorobenzene;chloroform;1,2-dichlorobenzene?
chlorobenzene;chloroform;1,2-dichlorobenzene has a molecular weight of 378.94 g/mol, XLogP of 7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;chloroform;1,2-dichlorobenzene is sourced from PubChem (CID 159790050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).