Basic information
- CAS
478261-57-3- Standard SMILES
O=C(C1CC1)N1CCCC(c2ccc(Cl)cc2)=N1- InChIKey
XHHUWGOXXQAJNN-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O
- Average molar mass
- 262.73 g/mol
- Monoisotopic mass
- 262.0872908
Names & identifiers
- Preferred name
- [3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](cyclopropyl)methanone
- IUPAC
- [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-cyclopropylmethanone
- English name
- [3-(4-CHLOROPHENYL)-5,6-DIHYDRO-1(4H)-PYRIDAZINYL](CYCLOPROPYL)METHANONE
- Molecular formula
- C14H15ClN2O
- Molecular weight
- 262.73
Names & synonyms
478261-57-3[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](cyclopropyl)methanone(3-(4-Chlorophenyl)-5,6-dihydropyridazin-1(4H)-yl)(cyclopropyl)methanone[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-cyclopropylmethanoneOprea1_292011MLS000695111CHEMBL1566772HMS2632P11AKOS0159937729L-527SSMR0003347373-(4-chlorophenyl)-1-cyclopropanecarbonyl-1,4,5,6-tetrahydropyridazine
Show more names
Methanone, [3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl]cyclopropyl-
Database identifiers
- CAS
478261-57-3- PubChem CID
- 1488625
- ChEMBL
CHEMBL1566772
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 384.3 · 384.3±44.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…