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N-ethoxy-2,4-dibromobutyric acid amide

HCID 86632273
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCONC(=O)C(Br)CCBr
InChIKey
HLZZZJUGGHOMKQ-UHFFFAOYSA-N
Molecular formula
C6H11Br2NO2
Average molar mass
288.96 g/mol

Names & identifiers

Preferred name
N-ethoxy-2,4-dibromobutyric acid amide
IUPAC
2,4-dibromo-N-ethoxybutanamide

Names & synonyms

N-ethoxy-2,4-dibromobutyric acid amideSCHEMBL2080643HLZZZJUGGHOMKQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
86632273

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
11
Formal charge
0
Complexity
121

Related reactions

2 records
New reaction record
HRID 298489 reaction equation
HRID 298489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 601737 reaction equation
HRID 601737As reactantuspto-grants-2011_03

Compound notes

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