1,2-dichlorobenzene;1,2,4-trichlorobenzene

C12H7Cl5 — CID 161216251

IUPAC1,2-dichlorobenzene;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.Clc1ccccc1Cl
InChIInChI=1S/C6H3Cl3.C6H4Cl2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3H;1-4H
InChIKeyUWXDCLDVKQQUKF-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.64
Rot. Bonds

About 1,2-dichlorobenzene;1,2,4-trichlorobenzene

1,2-dichlorobenzene;1,2,4-trichlorobenzene (PubChem CID 161216251) has the molecular formula C12H7Cl5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1,2-dichlorobenzene;1,2,4-trichlorobenzene.

Molecular Properties

Compound Name1,2-dichlorobenzene;1,2,4-trichlorobenzene
PubChem CID161216251
Molecular FormulaC12H7Cl5
Molecular Weight328.45 g/mol
Exact Mass325.90
IUPAC Name1,2-dichlorobenzene;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.Clc1ccccc1Cl
InChIInChI=1S/C6H3Cl3.C6H4Cl2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3H;1-4H
InChIKeyUWXDCLDVKQQUKF-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,2-dichlorobenzene;1,2,4-trichlorobenzene 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

methane;1,2,4-trichlorobenzene
CID 157397102
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
formonitrile;1,2,4-trichlorobenzene
CID 174386520
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
nitrous acid;1,2,4-trichlorobenzene
CID 174763822
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
azane;1,2-dichlorobenzene
CID 70584322
chlorobenzene;1,2-dichlorobenzene
CID 22250607
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
sodium 2,5-dichlorophenolate
CID 23667212

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;1,2,4-trichlorobenzene?
The IUPAC name of 1,2-dichlorobenzene;1,2,4-trichlorobenzene (CID 161216251) is 1,2-dichlorobenzene;1,2,4-trichlorobenzene.
What is the SMILES notation for 1,2-dichlorobenzene;1,2,4-trichlorobenzene?
The canonical SMILES for 1,2-dichlorobenzene;1,2,4-trichlorobenzene is Clc1ccc(Cl)c(Cl)c1.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;1,2,4-trichlorobenzene?
The InChIKey is UWXDCLDVKQQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.C6H4Cl2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3H;1-4H.
What are the key properties of 1,2-dichlorobenzene;1,2,4-trichlorobenzene?
1,2-dichlorobenzene;1,2,4-trichlorobenzene has a molecular weight of 328.45 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;1,2,4-trichlorobenzene is sourced from PubChem (CID 161216251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).