2-Chloro-5-(ethylsulfonyl)benzonitrile

HCID 67390389
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Basic information

Standard SMILES
CCS(=O)(=O)c1ccc(Cl)c(C#N)c1
InChIKey
KNTYBCYELLUTPF-UHFFFAOYSA-N
Molecular formula
C9H8ClNO2S
Average molar mass
229.68 g/mol
Monoisotopic mass
228.9964274

Names & identifiers

Preferred name
2-Chloro-5-(ethylsulfonyl)benzonitrile
IUPAC
2-chloro-5-ethylsulfonylbenzonitrile

Names & synonyms

2-chloro-5-(ethylsulfonyl)benzonitrile98590-84-2SCHEMBL2392684KNTYBCYELLUTPF-UHFFFAOYSA-N2-chloro-5-(ethylsulfonyl)-benzonitrileDB-330120

Database identifiers

PubChem CID
67390389

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

8 records
New reaction record

Linked notes

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