Basic information
- CAS
124420-27-5- Standard SMILES
CC(C)(CC#N)c1cc(Cl)nnc1Cl- InChIKey
NMCOOTRWHCXWTJ-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2N3
- Average molar mass
- 230.09 g/mol
- Monoisotopic mass
- 229.0173527
Names & identifiers
- Preferred name
- 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile
- IUPAC
- 3-(3,6-dichloropyridazin-4-yl)-3-methylbutanenitrile
Names & synonyms
3-(3,6-dichloropyridazin-4-yl)-3-methylbutanenitrile124420-27-5DTXSID10154326
Database identifiers
- CAS
124420-27-5- PubChem CID
- 180239
- DTXSID
DTXSID10154326
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…