1-bromo-4-iodosylbenzene

C6H4BrIO — CID 23356981

IUPAC1-bromo-4-iodosylbenzene
SMILESO=Ic1ccc(Br)cc1
InChIInChI=1S/C6H4BrIO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyLOIGZTGCSSPYLD-UHFFFAOYSA-N
MW298.91 g/mol
LogP2.93
Rot. Bonds1

About 1-bromo-4-iodosylbenzene

1-bromo-4-iodosylbenzene (PubChem CID 23356981) has the molecular formula C6H4BrIO and a molecular weight of 298.91 g/mol. Its IUPAC name is 1-bromo-4-iodosylbenzene.

Molecular Properties

Compound Name1-bromo-4-iodosylbenzene
PubChem CID23356981
Molecular FormulaC6H4BrIO
Molecular Weight298.91 g/mol
Exact Mass297.85
IUPAC Name1-bromo-4-iodosylbenzene
SMILESO=Ic1ccc(Br)cc1
InChIInChI=1S/C6H4BrIO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyLOIGZTGCSSPYLD-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.91
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodosylbenzene?
The IUPAC name of 1-bromo-4-iodosylbenzene (CID 23356981) is 1-bromo-4-iodosylbenzene.
What is the SMILES notation for 1-bromo-4-iodosylbenzene?
The canonical SMILES for 1-bromo-4-iodosylbenzene is O=Ic1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-iodosylbenzene?
The InChIKey is LOIGZTGCSSPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrIO/c7-5-1-3-6(8-9)4-2-5/h1-4H.
What are the key properties of 1-bromo-4-iodosylbenzene?
1-bromo-4-iodosylbenzene has a molecular weight of 298.91 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodosylbenzene is sourced from PubChem (CID 23356981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).