N-(2-Chlorophenyl)-N'-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea
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Basic information
- CAS
1227955-28-3- Standard SMILES
Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1Cl- InChIKey
OPGSIJFJSRTIKK-UHFFFAOYSA-N- Molecular formula
- C14H11ClF3N3O
- Average molar mass
- 329.7 g/mol
- Monoisotopic mass
- 329.0542742
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-N'-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea
- IUPAC
- 1-(2-chlorophenyl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
- English name
- N-(2-Chlorophenyl)-N'-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea
- Molecular formula
- C14H11ClF3N3O
- Molecular weight
- 329.7
Names & synonyms
1227955-28-3N-(2-Chlorophenyl)-N'-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea1-(2-Chlorophenyl)-3-(2-methyl-6-(trifluoromethyl)pyridin-3-yl)urea1-(2-CHLOROPHENYL)-3-[2-METHYL-6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]UREAMFCD12406830AKOS027448029AS-98621-(2-chlorophenyl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridyl]ureaUrea, N-(2-chlorophenyl)-N'-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-
Database identifiers
- CAS
1227955-28-3- PubChem CID
- 75365595
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 305.8 · 305.8±42.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 12.56 · 12.56±0.70(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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