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7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one

HCID 56963530
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSC1C(=O)Nc2c(F)cccc21
InChIKey
LOKRAUWGFLVFID-UHFFFAOYSA-N
Molecular formula
C9H8FNOS
Average molar mass
197.23 g/mol

Names & identifiers

Preferred name
7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
IUPAC
7-fluoro-3-methylsulfanyl-1,3-dihydroindol-2-one

Names & synonyms

SCHEMBL1165977-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-oneLOKRAUWGFLVFID-UHFFFAOYSA-N

Database identifiers

PubChem CID
56963530

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
224

Related reactions

2 records
New reaction record
HRID 320167 reaction equation
HRID 320167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1045039 reaction equation
HRID 1045039As reactantuspto-grants-2013_10

Compound notes

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