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Compound
1-Hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea
HCID
19967403
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Basic information
Standard SMILES
CN(O)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIKey
CDFBRZWZPFQLHK-UHFFFAOYSA-N
Molecular formula
C9H12N2O4S
Average molar mass
244.27 g/mol
Names & identifiers
Preferred name
1-Hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea
IUPAC
1-hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea
Names & synonyms
SCHEMBL7616845
Database identifiers
PubChem CID
19967403
Properties
Computed structural properties
XLogP
0
Topological polar surface area
95.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
349
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Related reactions
1 records
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As reactant
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As solvent
HRID
689886
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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