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5-bromo-2-chloro-N-(2-hydroxyimino-ethyl)-benzamide

HCID 73987902
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NCC=NO)c1cc(Br)ccc1Cl
InChIKey
QJAHPLGLFDOCPA-UHFFFAOYSA-N
Molecular formula
C9H8BrClN2O2
Average molar mass
291.53 g/mol

Names & identifiers

Preferred name
5-bromo-2-chloro-N-(2-hydroxyimino-ethyl)-benzamide
IUPAC
5-bromo-2-chloro-N-(2-hydroxyiminoethyl)benzamide

Names & synonyms

SCHEMBL2563711QJAHPLGLFDOCPA-UHFFFAOYSA-N5-bromo-2-chloro-N-(2-hydroxyimino-ethyl)-benzamide

Database identifiers

PubChem CID
73987902

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
61.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
250

Related reactions

2 records
New reaction record
HRID 23823 reaction equation
HRID 23823As reactantuspto-grants-2005_02
HRID 2142155 reaction equation
HRID 2142155As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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