(5-bromo-2-formylphenyl) hypochlorite

C7H4BrClO2 — CID 22608477

IUPAC(5-bromo-2-formylphenyl) hypochlorite
SMILESO=Cc1ccc(Br)cc1OCl
InChIInChI=1S/C7H4BrClO2/c8-6-2-1-5(4-10)7(3-6)11-9/h1-4H
InChIKeyOKYWHYBPTQBZMG-UHFFFAOYSA-N
MW235.46 g/mol
LogP2.79
Rot. Bonds2

About (5-bromo-2-formylphenyl) hypochlorite

(5-bromo-2-formylphenyl) hypochlorite (PubChem CID 22608477) has the molecular formula C7H4BrClO2 and a molecular weight of 235.46 g/mol. Its IUPAC name is (5-bromo-2-formylphenyl) hypochlorite.

Molecular Properties

Compound Name(5-bromo-2-formylphenyl) hypochlorite
PubChem CID22608477
Molecular FormulaC7H4BrClO2
Molecular Weight235.46 g/mol
Exact Mass233.91
IUPAC Name(5-bromo-2-formylphenyl) hypochlorite
SMILESO=Cc1ccc(Br)cc1OCl
InChIInChI=1S/C7H4BrClO2/c8-6-2-1-5(4-10)7(3-6)11-9/h1-4H
InChIKeyOKYWHYBPTQBZMG-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
CID 82006187
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
CID 114042688
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710
4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
CID 75406688

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-formylphenyl) hypochlorite?
The IUPAC name of (5-bromo-2-formylphenyl) hypochlorite (CID 22608477) is (5-bromo-2-formylphenyl) hypochlorite.
What is the SMILES notation for (5-bromo-2-formylphenyl) hypochlorite?
The canonical SMILES for (5-bromo-2-formylphenyl) hypochlorite is O=Cc1ccc(Br)cc1OCl.
What is the InChIKey of (5-bromo-2-formylphenyl) hypochlorite?
The InChIKey is OKYWHYBPTQBZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO2/c8-6-2-1-5(4-10)7(3-6)11-9/h1-4H.
What are the key properties of (5-bromo-2-formylphenyl) hypochlorite?
(5-bromo-2-formylphenyl) hypochlorite has a molecular weight of 235.46 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-formylphenyl) hypochlorite is sourced from PubChem (CID 22608477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).