Basic information
- CAS
221195-98-8- Standard SMILES
Cc1cc(-c2ccc3c(c2)OCO3)nnc1Cl- InChIKey
MKLIERQWHJADIO-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0352552
Names & identifiers
- Preferred name
- 6-(1,3-Benzodioxol-5-yl)-3-chloro-4-methylpyridazine
- IUPAC
- 6-(1,3-benzodioxol-5-yl)-3-chloro-4-methylpyridazine
Names & synonyms
6-(1,3-benzodioxol-5-yl)-3-chloro-4-methylpyridazineDTXSID701217908221195-98-86-(2H-1,3-Benzodioxol-5-yl)-3-chloro-4-methylpyridazine
Database identifiers
- CAS
221195-98-8- PubChem CID
- 10753109
- DTXSID
DTXSID701217908
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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