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2-(3-Chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid (HCID 91064114)|Huagongshe
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Compound
2-(3-Chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
HCID
91064114
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CS(=O)(=O)c1ccc(C(=NOC2CCCCC2)C(=O)O)cc1Cl
InChIKey
JPSNOAJJVOCLIM-UHFFFAOYSA-N
Molecular formula
C15H18ClNO5S
Average molar mass
359.8 g/mol
Monoisotopic mass
359.0594215
Names & identifiers
Preferred name
2-(3-Chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
IUPAC
2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
Names & synonyms
SCHEMBL2643372
Database identifiers
PubChem CID
91064114
Properties
Computed structural properties
XLogP
3.6
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
551
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Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
665601
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
674517
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
677603
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
823547
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
2317100
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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