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2-[3,5-Difluoro-4-(methylthio)phenyl]-1-phenylethanone oxime

HCID 73994444
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1c(F)cc(CC(=NO)c2ccccc2)cc1F
InChIKey
MROASOFDXGSGOZ-UHFFFAOYSA-N
Molecular formula
C15H13F2NOS
Average molar mass
293.3 g/mol

Names & identifiers

Preferred name
2-[3,5-Difluoro-4-(methylthio)phenyl]-1-phenylethanone oxime
IUPAC
N-[2-(3,5-difluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine

Names & synonyms

SCHEMBL6736753MROASOFDXGSGOZ-UHFFFAOYSA-N2-[3,5-difluoro-4-(methylthio)-phenyl]-1-phenylethanone oxime2-[3,5-difluoro-4-(methylthio)phenyl]-1-phenylethanone oxime

Database identifiers

PubChem CID
73994444

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
57.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
322

Related reactions

5 records
New reaction record
HRID 47649 reaction equation
HRID 47649As productuspto-grants-2004_03
HRID 47650 reaction equation
HRID 47650As reactantuspto-grants-2004_03
HRID 115269 reaction equation
HRID 115269As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1838506 reaction equation
HRID 1838506As productuspto-grants-2004_01
HRID 1838507 reaction equation
HRID 1838507As reactantuspto-grants-2004_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes