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3-bromo-4-morpholinofuran-2(5H)-one

HCID 58368017
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1OCC(N2CCOCC2)=C1Br
InChIKey
GTLDEELSEWMMQN-UHFFFAOYSA-N
Molecular formula
C8H10BrNO3
Average molar mass
248.07 g/mol

Names & identifiers

Preferred name
3-bromo-4-morpholinofuran-2(5H)-one
IUPAC
4-bromo-3-morpholin-4-yl-2H-furan-5-one

Names & synonyms

SCHEMBL1557668GTLDEELSEWMMQN-UHFFFAOYSA-N3-bromo-4-morpholinofuran-2(5H)-one

Database identifiers

PubChem CID
58368017

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
258

Related reactions

4 records
New reaction record
HRID 446803 reaction equation
HRID 446803As productuspto-grants-2013_07
HRID 446804 reaction equation
HRID 446804As reactantuspto-grants-2013_07
HRID 945568 reaction equation
HRID 945568As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2320023 reaction equation
HRID 2320023As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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