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1-Trifluoromethyl-3-phenyl-3-hydroxyurea (HCID 21553678)|Huagongshe
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Compound
1-Trifluoromethyl-3-phenyl-3-hydroxyurea
HCID
21553678
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
O=C(NC(F)(F)F)N(O)c1ccccc1
InChIKey
YYRIFQADRBJYDE-UHFFFAOYSA-N
Molecular formula
C8H7F3N2O2
Average molar mass
220.15 g/mol
Names & identifiers
Preferred name
1-Trifluoromethyl-3-phenyl-3-hydroxyurea
IUPAC
1-hydroxy-1-phenyl-3-(trifluoromethyl)urea
Names & synonyms
1-trifluoromethyl-3-phenyl-3-hydroxyurea
SCHEMBL11809985
Database identifiers
PubChem CID
21553678
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
226
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Show all 8 / 8
Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
267675
As product
uspto-grants-1976_03
HRID
267676
As reactant
uspto-grants-1976_03
HRID
301439
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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