2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetonitrile
Basic information
- CAS
86894-73-7- Standard SMILES
N#CCn1nc(-c2ccc(Cl)cc2)ccc1=O- InChIKey
LYINNHIQBVJFPL-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O
- Average molar mass
- 245.66 g/mol
- Monoisotopic mass
- 245.0355896
Names & identifiers
- Preferred name
- 2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetonitrile
- IUPAC
- 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile
Names & synonyms
86894-73-72-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetonitrile2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetonitrileDTXSID80428869F2774-0353[3-(4-Chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetonitrile
Database identifiers
- CAS
86894-73-7- PubChem CID
- 7659863
- DTXSID
DTXSID80428869
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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