1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene

C10H6Cl4 — CID 18955868

IUPAC1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene
SMILESC=Cc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl4/c1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H,1-2H2
InChIKeyINMPEUIPFUEEAX-UHFFFAOYSA-N
MW267.97 g/mol
LogP5.59
Rot. Bonds2

About 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene

1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene (PubChem CID 18955868) has the molecular formula C10H6Cl4 and a molecular weight of 267.97 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene
PubChem CID18955868
Molecular FormulaC10H6Cl4
Molecular Weight267.97 g/mol
Exact Mass265.92
IUPAC Name1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene
SMILESC=Cc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl4/c1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H,1-2H2
InChIKeyINMPEUIPFUEEAX-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.97
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene?
The IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene (CID 18955868) is 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene is C=Cc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene?
The InChIKey is INMPEUIPFUEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4/c1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H,1-2H2.
What are the key properties of 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene?
1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene has a molecular weight of 267.97 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3,6-bis(ethenyl)benzene is sourced from PubChem (CID 18955868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).