Basic information
- CAS
5353-29-7- Standard SMILES
Cc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1- InChIKey
GKYCIQYGTIUXRJ-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O
- Average molar mass
- 269.12 g/mol
- Monoisotopic mass
- 268.0170183
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-(3-methylbenzyl)pyridazin-3(2h)-one
- IUPAC
- 4,5-dichloro-2-[(3-methylphenyl)methyl]pyridazin-3-one
Names & synonyms
4,5-dichloro-2-(3-methylbenzyl)pyridazin-3(2h)-one4,5-dichloro-2-(3-methylbenzyl)-3(2H)-pyridazinone5353-29-71H-Benzimidazole, 5,6-dichloro-1-b-D-ribofuranosyl-126227-99-4MLS000577587Cambridge id 5353297orb12995054,5-dichloro-2-[(3-methylphenyl)methyl]pyridazin-3-oneCHEMBL1602084SCHEMBL12218257DTXSID60968278
Show more names
HMS2456J20MFCD00814493AKOS001363600AS-68776SMR0001855804,5-dichloro-2-(m-tolylmethyl)pyridazin-3-oneAB00082410-01SR-01000206545
Database identifiers
- CAS
5353-29-7- PubChem CID
- 779647
- DTXSID
DTXSID60968278- ChEMBL
CHEMBL1602084
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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