1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene

C8H4BrCl2I — CID 166063999

IUPAC1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
SMILESCl/C(=C(\Br)I)c1ccc(Cl)cc1
InChIInChI=1S/C8H4BrCl2I/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+
InChIKeyJMMKNLALCNNHMP-BQYQJAHWSA-N
MW377.83 g/mol
LogP5.03
Rot. Bonds1

About 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene

1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene (PubChem CID 166063999) has the molecular formula C8H4BrCl2I and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
PubChem CID166063999
Molecular FormulaC8H4BrCl2I
Molecular Weight377.83 g/mol
Exact Mass375.79
IUPAC Name1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
SMILESCl/C(=C(\Br)I)c1ccc(Cl)cc1
InChIInChI=1S/C8H4BrCl2I/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+
InChIKeyJMMKNLALCNNHMP-BQYQJAHWSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
4-chloro(13C)benzoic acid
CID 66995527
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene (CID 166063999) is 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene is Cl/C(=C(\Br)I)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene?
The InChIKey is JMMKNLALCNNHMP-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H4BrCl2I/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/b8-7+.
What are the key properties of 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene?
1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene has a molecular weight of 377.83 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene is sourced from PubChem (CID 166063999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).