Basic information
- CAS
4367-60-6- Standard SMILES
O=C(Nc1cccc(F)c1)Nc1ccc(Cl)c(Cl)c1- InChIKey
MKUDVDNZANIVDJ-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2FN2O
- Average molar mass
- 299.12 g/mol
- Monoisotopic mass
- 298.0075965
Names & identifiers
- Preferred name
- N-(3,4-dichlorophenyl)-N'-(3-fluorophenyl)urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(3-fluorophenyl)urea
- English name
- N-(3,4-Dichlorophenyl)-N'-(3-fluorophenyl)urea
- Molecular formula
- C13H9Cl2FN2O
- Molecular weight
- 299.13
Names & synonyms
N-(3,4-dichlorophenyl)-N'-(3-fluorophenyl)ureaCambridge id 5363116SCHEMBL12218259AKOS001223579ST50565765[(3,4-dichlorophenyl)amino]-N-(3-fluorophenyl)carboxamideUrea, N-(3,4-dichlorophenyl)-N′-(3-fluorophenyl)-
Database identifiers
- CAS
4367-60-6- PubChem CID
- 768010
- EC Number
- 137-635-9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 313.418 · 313.418±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.721 · 12.721±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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