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2-(2,6-dichloro-3-nitro-phenyl)-N-(3-formyl-pyridin-4-yl)-acetamide

HCID 59833859
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=Cc1cnccc1NC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIKey
PSZDYZXKSUALQK-UHFFFAOYSA-N
Molecular formula
C14H9Cl2N3O4
Average molar mass
354.1 g/mol

Names & identifiers

Preferred name
2-(2,6-dichloro-3-nitro-phenyl)-N-(3-formyl-pyridin-4-yl)-acetamide
IUPAC
2-(2,6-dichloro-3-nitrophenyl)-N-(3-formyl-4-pyridinyl)acetamide

Names & synonyms

SCHEMBL927837PSZDYZXKSUALQK-UHFFFAOYSA-N2-(2,6-dichloro-3-nitro-phenyl)-N-(3-formyl-pyridin-4-yl)-acetamide

Database identifiers

PubChem CID
59833859

Properties

Computed structural propertiesFilling in

XLogP
2.7
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
460

Related reactions

3 records
New reaction record
HRID 270693 reaction equation
HRID 270693As productuspto-grants-2008_11
HRID 270694 reaction equation
HRID 270694As reactantuspto-grants-2008_11
HRID 684465 reaction equation
HRID 684465As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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