2-bromo-4-chloro-1-methylperoxybenzene

C7H6BrClO2 — CID 175375025

IUPAC2-bromo-4-chloro-1-methylperoxybenzene
SMILESCOOc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClO2/c1-10-11-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKeyFZVGZMAYNMHQHB-UHFFFAOYSA-N
MW237.48 g/mol
LogP3.04
Rot. Bonds2

About 2-bromo-4-chloro-1-methylperoxybenzene

2-bromo-4-chloro-1-methylperoxybenzene (PubChem CID 175375025) has the molecular formula C7H6BrClO2 and a molecular weight of 237.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-methylperoxybenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-methylperoxybenzene
PubChem CID175375025
Molecular FormulaC7H6BrClO2
Molecular Weight237.48 g/mol
Exact Mass235.92
IUPAC Name2-bromo-4-chloro-1-methylperoxybenzene
SMILESCOOc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClO2/c1-10-11-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKeyFZVGZMAYNMHQHB-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-1-methoxybenzene
CID 140982994
CID 140811759
CID 140811759
2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene
CID 162682388
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133424725
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
methyl (2R)-2-(2-bromo-4-chlorophenoxy)-4-methylpentanoate
CID 114282399
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-methylperoxybenzene?
The IUPAC name of 2-bromo-4-chloro-1-methylperoxybenzene (CID 175375025) is 2-bromo-4-chloro-1-methylperoxybenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-methylperoxybenzene?
The canonical SMILES for 2-bromo-4-chloro-1-methylperoxybenzene is COOc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-methylperoxybenzene?
The InChIKey is FZVGZMAYNMHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2/c1-10-11-7-3-2-5(9)4-6(7)8/h2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-methylperoxybenzene?
2-bromo-4-chloro-1-methylperoxybenzene has a molecular weight of 237.48 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-methylperoxybenzene is sourced from PubChem (CID 175375025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).