2,2',3,4'-Tetrachlorobiphenyl

C12H6Cl4 — CID 63103

IUPAC1,2-dichloro-3-(2,4-dichlorophenyl)benzene
SMILESC1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
InChIInChI=1S/C12H6Cl4/c13-7-4-5-8(11(15)6-7)9-2-1-3-10(14)12(9)16/h1-6H
InChIKeyALFHIHDQSYXSGP-UHFFFAOYSA-N
MW292.00 g/mol
LogP6.00
Rot. Bonds1

About 2,2',3,4'-Tetrachlorobiphenyl

2,2',3,4'-Tetrachlorobiphenyl (PubChem CID 63103) has the molecular formula C12H6Cl4 and a molecular weight of 292.00 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,4-dichlorophenyl)benzene.

Molecular Properties

Compound Name2,2',3,4'-Tetrachlorobiphenyl
PubChem CID63103
Molecular FormulaC12H6Cl4
Molecular Weight292.00 g/mol
Exact Mass291.92
IUPAC Name1,2-dichloro-3-(2,4-dichlorophenyl)benzene
SMILESC1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
InChIInChI=1S/C12H6Cl4/c13-7-4-5-8(11(15)6-7)9-2-1-3-10(14)12(9)16/h1-6H
InChIKeyALFHIHDQSYXSGP-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity233

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.00
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
Pcb 128
CID 38018
2,3',4,4',5-Pentachlorobiphenyl
CID 35823
Pcb 105
CID 36188
2,3,3',4,4',5-Hexachlorobiphenyl
CID 38019
Pcb 187
CID 40475

Frequently Asked Questions

What is the IUPAC name of 2,2',3,4'-Tetrachlorobiphenyl?
The IUPAC name of 2,2',3,4'-Tetrachlorobiphenyl (CID 63103) is 1,2-dichloro-3-(2,4-dichlorophenyl)benzene.
What is the SMILES notation for 2,2',3,4'-Tetrachlorobiphenyl?
The canonical SMILES for 2,2',3,4'-Tetrachlorobiphenyl is C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl.
What is the InChIKey of 2,2',3,4'-Tetrachlorobiphenyl?
The InChIKey is ALFHIHDQSYXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4/c13-7-4-5-8(11(15)6-7)9-2-1-3-10(14)12(9)16/h1-6H.
What are the key properties of 2,2',3,4'-Tetrachlorobiphenyl?
2,2',3,4'-Tetrachlorobiphenyl has a molecular weight of 292.00 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',3,4'-Tetrachlorobiphenyl is sourced from PubChem (CID 63103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).