Basic information
- CAS
50512-54-4- Standard SMILES
Nc1cnn(-c2cccc(O)c2O)c(=O)c1Cl- InChIKey
NGWWIKMKDDRAOU-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O3
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 253.0254188
Overview
5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one is a pyridazinone, a member of phenols and an organochlorine compound.
Names & identifiers
- Preferred name
- 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone
- IUPAC
- 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3-one
Names & synonyms
Chloridazon catechol50512-54-45-Amino-4-chloro-(2,3-dihydroxy-1-phenyl)-3(2H)-pyridazinone5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone5-Amino-4-chloro-2-(2',3'-dihydroxyphenyl)-3(2H)-pyridazinoneRefChem:9132475-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3-one3(2H)-Pyridazinone, 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-SCHEMBL29741350CHEBI:17147DTXSID30964742
Show more names
C04798Q271022393-(4-Amino-5-chloro-6-hydroxypyridazin-1(2H)-yl)cyclohexa-3,5-diene-1,2-dione
Database identifiers
- CAS
50512-54-4- PubChem CID
- 440487
- DTXSID
DTXSID30964742- ChEBI
CHEBI:17147- Nikkaji
- J2.753.649B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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