Basic information
- CAS
195452-09-6- Standard SMILES
O=C(Nc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F- InChIKey
YYQOYLWBMMXKLK-UHFFFAOYSA-N- Molecular formula
- C13H9BrFN3O3
- Average molar mass
- 354.13 g/mol
- Monoisotopic mass
- 352.98113
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-N'-(2-fluoro-5-nitrophenyl)urea
- IUPAC
- 1-(4-bromophenyl)-3-(2-fluoro-5-nitrophenyl)urea
- English name
- 1-(4-Bromophenyl)-3-(2-fluoro-5-nitrophenyl)urea
- Molecular formula
- C13H9BrFN3O3
- Molecular weight
- 354.13
Names & synonyms
N-(4-bromophenyl)-N'-(2-fluoro-5-nitrophenyl)ureaNSC216398DTXSID601232676AKOS024433720NSC-216398195452-09-6N-(4-Bromophenyl)-Na(2)-(2-fluoro-5-nitrophenyl)urea1-(4-Bromophenyl)-3-(2-fluoro-5-nitrophenyl)ureaUrea, N-(4-bromophenyl)-N′-(2-fluoro-5-nitrophenyl)-
Database identifiers
- CAS
195452-09-6- PubChem CID
- 311166
- DTXSID
DTXSID601232676
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 359.565 · 359.565±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.752 · 1.752±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.307 · 12.307±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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