Basic information
- CAS
1698-63-1- Standard SMILES
O=c1c(Cl)c(Br)cnn1-c1ccccc1- InChIKey
DKQRNDGOJIYNOY-UHFFFAOYSA-N- Molecular formula
- C10H6BrClN2O
- Average molar mass
- 285.52 g/mol
- Monoisotopic mass
- 283.9352
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-2-phenylpyridazin-3(2H)-one
- IUPAC
- 5-bromo-4-chloro-2-phenylpyridazin-3-one
- English name
- 5-bromo-4-chloro-2-phenylpyridazin-3(2H)-one
- Molecular formula
- C10H6BrClN2O
- Molecular weight
- 285.52
Names & synonyms
5-Bromo-4-chloro-2-phenylpyridazin-3(2H)-one1698-63-15-bromo-4-chloro-2-phenylpyridazin-3-oneEINECS 216-921-8DTXSID20168757DKQRNDGOJIYNOY-UHFFFAOYSA-NNS000255715-Bromo-4-chloro-2-phenyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 5-bromo-4-chloro-2-phenyl-2-Phenyl-4-chloro-5-bromo-2,3-dihydropyridazine-3-one
Database identifiers
- CAS
1698-63-1- PubChem CID
- 74336
- DTXSID
DTXSID20168757- EC Number
- 216-921-8
- Nikkaji
- J195.348F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 322.4 · 322.4±52.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- -3.44 · -3.44±0.60(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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