Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene

C12H8ClI — CID 166789953

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene
SMILESC1=CC2=CC=C21.C1=CC(=CC=C1Cl)I
InChIInChI=1S/C6H4ClI.C6H4/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5(1)6/h1-4H;1-4H
InChIKeyVSXREIUODBGLRW-UHFFFAOYSA-N
MW314.55 g/mol
LogP—
Rot. Bonds

About Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene

Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene (PubChem CID 166789953) has the molecular formula C12H8ClI and a molecular weight of 314.55 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene
PubChem CID166789953
Molecular FormulaC12H8ClI
Molecular Weight314.55 g/mol
Exact Mass313.94
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene
SMILESC1=CC2=CC=C21.C1=CC(=CC=C1Cl)I
InChIInChI=1S/C6H4ClI.C6H4/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5(1)6/h1-4H;1-4H
InChIKeyVSXREIUODBGLRW-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity115

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene (CID 166789953) is bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene is C1=CC2=CC=C21.C1=CC(=CC=C1Cl)I.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene?
The InChIKey is VSXREIUODBGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClI.C6H4/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5(1)6/h1-4H;1-4H.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene?
Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene has a molecular weight of 314.55 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloro-4-iodobenzene is sourced from PubChem (CID 166789953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).