1-bromo-4-iodobenzene;formyl chloride

C7H5BrClIO — CID 161442464

IUPAC1-bromo-4-iodobenzene;formyl chloride
SMILESBrc1ccc(I)cc1.O=CCl
InChIInChI=1S/C6H4BrI.CHClO/c7-5-1-3-6(8)4-2-5;2-1-3/h1-4H;1H
InChIKeyVZLNEYVIBOWLOQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.47
Rot. Bonds

About 1-bromo-4-iodobenzene;formyl chloride

1-bromo-4-iodobenzene;formyl chloride (PubChem CID 161442464) has the molecular formula C7H5BrClIO and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;formyl chloride.

Molecular Properties

Compound Name1-bromo-4-iodobenzene;formyl chloride
PubChem CID161442464
Molecular FormulaC7H5BrClIO
Molecular Weight347.38 g/mol
Exact Mass345.83
IUPAC Name1-bromo-4-iodobenzene;formyl chloride
SMILESBrc1ccc(I)cc1.O=CCl
InChIInChI=1S/C6H4BrI.CHClO/c7-5-1-3-6(8)4-2-5;2-1-3/h1-4H;1H
InChIKeyVZLNEYVIBOWLOQ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;formyl chloride?
The IUPAC name of 1-bromo-4-iodobenzene;formyl chloride (CID 161442464) is 1-bromo-4-iodobenzene;formyl chloride.
What is the SMILES notation for 1-bromo-4-iodobenzene;formyl chloride?
The canonical SMILES for 1-bromo-4-iodobenzene;formyl chloride is Brc1ccc(I)cc1.O=CCl.
What is the InChIKey of 1-bromo-4-iodobenzene;formyl chloride?
The InChIKey is VZLNEYVIBOWLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrI.CHClO/c7-5-1-3-6(8)4-2-5;2-1-3/h1-4H;1H.
What are the key properties of 1-bromo-4-iodobenzene;formyl chloride?
1-bromo-4-iodobenzene;formyl chloride has a molecular weight of 347.38 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;formyl chloride is sourced from PubChem (CID 161442464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).