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4-[2-(2-Bromophenyl)ethyl]morpholine-3,5-dione

HCID 9879306
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1COCC(=O)N1CCc1ccccc1Br
InChIKey
UCAATGZZUVKWAV-UHFFFAOYSA-N
Molecular formula
C12H12BrNO3
Average molar mass
298.13 g/mol

Names & identifiers

Preferred name
4-[2-(2-Bromophenyl)ethyl]morpholine-3,5-dione
IUPAC
4-[2-(2-bromophenyl)ethyl]morpholine-3,5-dione

Names & synonyms

4-[2-(2-bromophenyl)ethyl]morpholine-3,5-dioneSCHEMBL6096411UCAATGZZUVKWAV-UHFFFAOYSA-N4-(2-Bromophenethyl)morpholine-3,5-dioneDB-166176500874-60-2

Database identifiers

PubChem CID
9879306

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
292

Related reactions

2 records
New reaction record
HRID 151799 reaction equation
HRID 151799As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1797296 reaction equation
HRID 1797296As productuspto-grants-2006_04

Compound notes

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