3-Chloro-6-(5-methylfuran-2-yl)pyridazine
Basic information
- CAS
1105195-02-5- Standard SMILES
Cc1ccc(-c2ccc(Cl)nn2)o1- InChIKey
VTLLRLIRPLSNNF-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 3-Chloro-6-(5-methylfuran-2-yl)pyridazine
- IUPAC
- 3-chloro-6-(5-methylfuran-2-yl)pyridazine
- English name
- 3-chloro-6-(5-methylfuran-2-yl)pyridazine
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
3-chloro-6-(5-methylfuran-2-yl)pyridazine1105195-02-5MFCD121431513-chloro-6-(5-methyl-2-furyl)pyridazineDTXSID401270761AKOS0052080183-Chloro-6-(5-methyl-2-furanyl)pyridazineEN300-236487F1967-0420Pyridazine, 3-chloro-6-(5-methyl-2-furanyl)-
Database identifiers
- CAS
1105195-02-5- PubChem CID
- 33676258
- DTXSID
DTXSID401270761
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 342.8 · 342.8±37.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 0.25 · 0.25±0.10(Predicted)
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Compound notes
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