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2-Chloro-3-quinoxalin-6-ylpropanal

HCID 62395537
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=CC(Cl)Cc1ccc2nccnc2c1
InChIKey
ZBBQRBYJWRRCGH-UHFFFAOYSA-N
Molecular formula
C11H9ClN2O
Average molar mass
220.65 g/mol
Monoisotopic mass
220.0403406

Names & identifiers

Preferred name
2-Chloro-3-quinoxalin-6-ylpropanal
IUPAC
2-chloro-3-quinoxalin-6-ylpropanal

Names & synonyms

1029715-43-2SCHEMBL1953716ZBBQRBYJWRRCGH-UHFFFAOYSA-N2-chloro-3-quinoxalin-6-ylpropanalAKOS0116828612-Chloro-3-(quinoxalin-6-yl)propanalDB-192487

Database identifiers

PubChem CID
62395537

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
42.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
225

Related reactions

5 records
New reaction record
HRID 136622 reaction equation
HRID 136622As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 500191 reaction equation
HRID 500191As productuspto-grants-2010_08
HRID 500192 reaction equation
HRID 500192As reactantuspto-grants-2010_08
HRID 1257847 reaction equation
HRID 1257847As productuspto-grants-2013_06
HRID 1257848 reaction equation
HRID 1257848As reactantuspto-grants-2013_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes