(3-bromo-4-chlorophenyl) hypochlorite

C6H3BrCl2O — CID 153332085

IUPAC(3-bromo-4-chlorophenyl) hypochlorite
SMILESClOc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2O/c7-5-3-4(10-9)1-2-6(5)8/h1-3H
InChIKeyHCELJTWUXTWABU-UHFFFAOYSA-N
MW241.90 g/mol
LogP3.64
Rot. Bonds1

About (3-bromo-4-chlorophenyl) hypochlorite

(3-bromo-4-chlorophenyl) hypochlorite (PubChem CID 153332085) has the molecular formula C6H3BrCl2O and a molecular weight of 241.90 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl) hypochlorite.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl) hypochlorite
PubChem CID153332085
Molecular FormulaC6H3BrCl2O
Molecular Weight241.90 g/mol
Exact Mass239.87
IUPAC Name(3-bromo-4-chlorophenyl) hypochlorite
SMILESClOc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2O/c7-5-3-4(10-9)1-2-6(5)8/h1-3H
InChIKeyHCELJTWUXTWABU-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.90
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl) hypochlorite?
The IUPAC name of (3-bromo-4-chlorophenyl) hypochlorite (CID 153332085) is (3-bromo-4-chlorophenyl) hypochlorite.
What is the SMILES notation for (3-bromo-4-chlorophenyl) hypochlorite?
The canonical SMILES for (3-bromo-4-chlorophenyl) hypochlorite is ClOc1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl) hypochlorite?
The InChIKey is HCELJTWUXTWABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2O/c7-5-3-4(10-9)1-2-6(5)8/h1-3H.
What are the key properties of (3-bromo-4-chlorophenyl) hypochlorite?
(3-bromo-4-chlorophenyl) hypochlorite has a molecular weight of 241.90 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl) hypochlorite is sourced from PubChem (CID 153332085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).