1,3-dichloro-2-(2,6-dichlorophenyl)benzene

C12H6Cl4 — CID 27588

IUPAC1,3-dichloro-2-(2,6-dichlorophenyl)benzene
SMILESClc1cccc(Cl)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyPXAGFNRKXSYIHU-UHFFFAOYSA-N
MW291.99 g/mol
LogP5.97
Rot. Bonds1

About 1,3-dichloro-2-(2,6-dichlorophenyl)benzene

1,3-dichloro-2-(2,6-dichlorophenyl)benzene (PubChem CID 27588) has the molecular formula C12H6Cl4 and a molecular weight of 291.99 g/mol. Its IUPAC name is 1,3-dichloro-2-(2,6-dichlorophenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(2,6-dichlorophenyl)benzene
PubChem CID27588
Molecular FormulaC12H6Cl4
Molecular Weight291.99 g/mol
Exact Mass289.92
IUPAC Name1,3-dichloro-2-(2,6-dichlorophenyl)benzene
SMILESClc1cccc(Cl)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyPXAGFNRKXSYIHU-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.99
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P,P'-ddd
CID 6294
1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
Mitotane
CID 4211
P,P'-dde
CID 3035
2,2',4,4',5,5'-Hexachlorobiphenyl
CID 37034
2,2',3,3',4-Pentachlorobiphenyl
CID 40470
Pcb 77
CID 36187
3,3',5-Trichlorobiphenyl
CID 38037
O,P'-Ddt
CID 13089
3,3',5,5'-Tetrachlorobiphenyl
CID 36400
Pcb 126
CID 63090
2,4-Dichlorotoluene
CID 7254

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(2,6-dichlorophenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(2,6-dichlorophenyl)benzene (CID 27588) is 1,3-dichloro-2-(2,6-dichlorophenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(2,6-dichlorophenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(2,6-dichlorophenyl)benzene is Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(2,6-dichlorophenyl)benzene?
The InChIKey is PXAGFNRKXSYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H.
What are the key properties of 1,3-dichloro-2-(2,6-dichlorophenyl)benzene?
1,3-dichloro-2-(2,6-dichlorophenyl)benzene has a molecular weight of 291.99 g/mol, XLogP of 5.97, 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-(2,6-dichlorophenyl)benzene is sourced from PubChem (CID 27588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).