Basic information
- CAS
1698-59-5- Standard SMILES
Nc1cc(=O)n(-c2ccccc2)nc1Cl- InChIKey
BDOCEPSNUBOONQ-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0355896
Names & identifiers
- Preferred name
- 5-Amino-6-chloro-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 5-amino-6-chloro-2-phenylpyridazin-3-one
- English name
- 5-Amino-6-chloro-2-phenyl-3(2H)-pyridazinone
- Molecular formula
- C10H8ClN3O
- Molecular weight
- 221.64
Names & synonyms
1698-59-55-Amino-6-chloro-2-phenyl-3(2H)-pyridazinoneNSC 19459DTXSID60168756RefChem:301042DTXCID80912475-Amino-6-chloro-2-phenylpyridazin-3(2H)-one5-amino-6-chloro-2-phenylpyridazin-3-oneNSC1945982GQC549JTNSC-194595-amino-6-chloro-2-phenyl-2,3-dihydropyridazin-3-one
Show more names
UNII-82GQC549JT3(2H)-Pyridazinone,5-amino-6-chloro-2-phenyl-SCHEMBL3983956DS-0137805-amino-6-chloro-2-phenyl-pyridazin-3-one3(2H)-Pyridazinone, 5-amino-6-chloro-2-phenyl-
Database identifiers
- CAS
1698-59-5- PubChem CID
- 227601
- DTXSID
DTXSID60168756- UNII
- 82GQC549JT
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- FDA UNII
- 82 GQC549JT · 82GQC549JT
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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