N-(4-chlorophenyl)-N-hydroxy-N'-(3-chlorophenyl)urea
Basic information
- CAS
91719-01-6- Standard SMILES
O=C(Nc1cccc(Cl)c1)N(O)c1ccc(Cl)cc1- InChIKey
KQAPJTCNGSDJAL-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N2O2
- Average molar mass
- 297.13 g/mol
- Monoisotopic mass
- 296.011933
Overview
structure given in first source; CPHU is a reducing agent for lipoxygenases and a substrate for their pseudoperoxidase activities
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-N-hydroxy-N'-(3-chlorophenyl)urea
- IUPAC
- 3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-hydroxyurea
- English name
- N-(4-chlorophenyl)-N-hydroxy-N'-(3-chlorophenyl)urea
- Molecular formula
- C13H10Cl2N2O2
- Molecular weight
- 297.14
Names & synonyms
CPHUN-(4-Chlorophenyl)-N-hydroxy-N'-(3-chlorophenyl)urea91719-01-6DTXSID50238679RefChem:162131DTXCID50161170SCHEMBL30503043GLXC-02562N'-(3-Chlorophenyl)-N-(4-chlorophenyl)-N-hydroxyurea
Database identifiers
- CAS
91719-01-6- PubChem CID
- 124471
- DTXSID
DTXSID50238679- Nikkaji
- J1.837.430G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Density
- 1.537 · 1.537±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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