1,3-dichloro-2-(dichloromethyl)benzene

C7H4Cl4 — CID 6671

IUPAC1,3-dichloro-2-(dichloromethyl)benzene
SMILESClc1cccc(Cl)c1C(Cl)Cl
InChIInChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKeyQQPXXHAEIGVZKQ-UHFFFAOYSA-N
MW229.92 g/mol
LogP4.47
Rot. Bonds1

About 1,3-dichloro-2-(dichloromethyl)benzene

1,3-dichloro-2-(dichloromethyl)benzene (PubChem CID 6671) has the molecular formula C7H4Cl4 and a molecular weight of 229.92 g/mol. Its IUPAC name is 1,3-dichloro-2-(dichloromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(dichloromethyl)benzene
PubChem CID6671
Molecular FormulaC7H4Cl4
Molecular Weight229.92 g/mol
Exact Mass227.91
IUPAC Name1,3-dichloro-2-(dichloromethyl)benzene
SMILESClc1cccc(Cl)c1C(Cl)Cl
InChIInChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKeyQQPXXHAEIGVZKQ-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichlorotoluene
CID 7254
Benzal chloride
CID 7411
2-Chlorotoluene
CID 7238
2-Chlorostyrene
CID 14906
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
1-Chloro-4-(chloromethyl)benzene
CID 7723
2,4-Dichlorobenzotrifluoride
CID 9443
4-Chlorobenzotrichloride
CID 21277
2,4-Dichlorophenyltrichloromethane
CID 25607
2,2',6-Trichlorobiphenyl
CID 38029
2-Chlorobenzyl chloride
CID 11906
2,4-Dichlorobenzyl chloride
CID 7212

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(dichloromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(dichloromethyl)benzene (CID 6671) is 1,3-dichloro-2-(dichloromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(dichloromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(dichloromethyl)benzene is Clc1cccc(Cl)c1C(Cl)Cl.
What is the InChIKey of 1,3-dichloro-2-(dichloromethyl)benzene?
The InChIKey is QQPXXHAEIGVZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H.
What are the key properties of 1,3-dichloro-2-(dichloromethyl)benzene?
1,3-dichloro-2-(dichloromethyl)benzene has a molecular weight of 229.92 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(dichloromethyl)benzene is sourced from PubChem (CID 6671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).