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Compound
3-bromo-4-morpholinofuran-2(5H)-one
HCID
58368017
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Basic information
Names & identifiers
Properties
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Compound notes
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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
SCHEMBL1557668
GTLDEELSEWMMQN-UHFFFAOYSA-N
3-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
Show all 8
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
446803
As product
uspto-grants-2013_07
HRID
446804
As reactant
uspto-grants-2013_07
HRID
945568
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2320023
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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