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5-[2-(4-Bromomethylcyclohexyl)ethyl]-3-methylisoxazole

HCID 20064104
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(CCC2CCC(CBr)CC2)on1
InChIKey
IGJPNRVTIKGZAO-UHFFFAOYSA-N
Molecular formula
C13H20BrNO
Average molar mass
286.21 g/mol
Monoisotopic mass
285.07283

Names & identifiers

Preferred name
5-[2-(4-Bromomethylcyclohexyl)ethyl]-3-methylisoxazole
IUPAC
5-[2-[4-(bromomethyl)cyclohexyl]ethyl]-3-methyl-1,2-oxazole

Names & synonyms

SCHEMBL9863143IGJPNRVTIKGZAO-UHFFFAOYSA-N5-[2-(4-bromomethylcyclohexyl)ethyl]-3-methylisoxazole

Database identifiers

PubChem CID
20064104

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
204

Related reactions

4 records
New reaction record
HRID 359843 reaction equation
HRID 359843As productuspto-grants-1991_03
HRID 938793 reaction equation
HRID 938793As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1905526 reaction equation
HRID 1905526As productuspto-grants-1989_06
HRID 2165426 reaction equation
HRID 2165426As productuspto-grants-1990_07

Compound notes

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