Basic information
- CAS
1036990-21-2- Standard SMILES
O=C(NCC(F)(F)F)Nc1cccc(Br)c1- InChIKey
IYCXXGUETWAUEZ-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3N2O
- Average molar mass
- 297.07 g/mol
- Monoisotopic mass
- 295.97720964
Names & identifiers
- Preferred name
- 1-(3-Bromophenyl)-3-(2,2,2-trifluoroethyl)urea
- IUPAC
- 1-(3-bromophenyl)-3-(2,2,2-trifluoroethyl)urea
- English name
- 1-(3-broMophenyl)-3-(2,2,2-trifluoroethyl)urea
- Molecular formula
- C9H8BrF3N2O
- Molecular weight
- 297.07
Names & synonyms
1-(3-Bromophenyl)-3-(2,2,2-trifluoroethyl)urea1036990-21-2SCHEMBL71711DTXSID00677695MFCD27923097DB-310931F86423F911067A1-06898N-(3-Bromophenyl)-N'-(2,2,2-trifluoroethyl)urea1-(3-Bromo-phenyl)-3-(2,2,2-trifluoro-ethyl)-urea1-(3-Bromo-phenyl)-3-(2,2,2-trifluoro-ethyl)urea
Show more names
Urea, N-(3-bromophenyl)-N'-(2,2,2-trifluoroethyl)-
N-(3-Bromophenyl)-N'-(2,2,2-trifluoroethyl)-urea
Database identifiers
- CAS
1036990-21-2- PubChem CID
- 47252533
- DTXSID
DTXSID00677695
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 282.6 · 282.6±40.0 °C(Predicted)
- Density
- 1.646 · 1.646±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.6 · 11.60±0.46(Predicted)
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
5 records
Compound notes
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