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Ethyl 3-(3-chloro-2-fluorophenyl)-2-diazo-3-oxopropanoate

HCID 86659989
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(=[N+]=[N-])C(=O)c1cccc(Cl)c1F
InChIKey
HHFBEKKJROXFDI-UHFFFAOYSA-N
Molecular formula
C11H8ClFN2O3
Average molar mass
270.64 g/mol

Names & identifiers

Preferred name
Ethyl 3-(3-chloro-2-fluorophenyl)-2-diazo-3-oxopropanoate
IUPAC
ethyl 3-(3-chloro-2-fluorophenyl)-2-diazo-3-oxopropanoate

Names & synonyms

ethyl 3-(3-chloro-2-fluorophenyl)-2-diazo-3-oxopropanoateSCHEMBL3709449HHFBEKKJROXFDI-UHFFFAOYSA-N

Database identifiers

PubChem CID
86659989

Properties

Computed structural properties

XLogP
3
Topological polar surface area
45.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
396

Related reactions

5 records
New reaction record
HRID 242007 reaction equation
HRID 242007As productuspto-grants-2014_02
HRID 242008 reaction equation
HRID 242008As reactantuspto-grants-2014_02
HRID 320977 reaction equation
HRID 320977As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 449970 reaction equation
HRID 449970As productuspto-grants-2013_07
HRID 449971 reaction equation
HRID 449971As reactantuspto-grants-2013_07

Compound notes

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