Basic information
- CAS
23576-23-0- Standard SMILES
CN(C)c1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl- InChIKey
CYQMVKQKBFFDOO-UHFFFAOYSA-N- Molecular formula
- C13H11ClF3N3O
- Average molar mass
- 317.69 g/mol
- Monoisotopic mass
- 317.0542742
Overview
structure
Names & identifiers
- Preferred name
- Metflurazon
- IUPAC
- 4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
- English name
- 4-chloro-5-dimethylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
- Molecular formula
- C13H11ClF3N3O
- Molecular weight
- 317.69
Names & synonyms
Metflurazon23576-23-0Sandoz 6706San-6706NT6HY78WBNSANDOZ-6706DTXSID8042133SAN-H-67063(2H)-Pyridazinone, 4-chloro-5-(dimethylamino)-2-(3-(trifluoromethyl)phenyl)-S-67064-Chloro-5-dimethylamino-2-(alpha,alpha,alpha-trifluoro-m-tolyl)pyridazin-3(2H)-one4-Chloro-5-(dimethylamino)-2-alpha,alpha,alpha-(trifluoro-m-tolyl)-3-(2H)-pyridazinone
Show more names
SAN 67064-Chloro-5-dimethylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one3(2H)-Pyridazinone, 4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]-
RefChem:156830DTXCID6022133Metflurazon [ISO]4-chloro-5-(dimethylamino)-2-(3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one4-Chloro-5-Dimethylamino-2-[3-(Trifluoromethyl)Phenyl]Pyridazin-3-OneMETFLURAZONEUNII-NT6HY78WBNSan 6706-3197
Database identifiers
- CAS
23576-23-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
LogP2.67
Physicochemical properties
- Melting point
- 151 °C · 151°C
- Boiling point
- 340.6 · 340.6±52.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 1.42 · 1.42±0.20(Predicted)
- Water Solubility
- 10.5 mg/L · 10.5mg/L(23.5 ºC)
- FDA UNII
- 6 HY78WBN · NT6HY78WBN
- EPA Substance Registry System
- Metflurazon (23576-23-0)
Chemistry & industry
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…