Pyridazine, 3-chloro-, 2-oxide

HCID 6403197

Notes Reactions

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Basic information

CAS: 7217-75-6
Standard SMILES: [O-][n+]1ncccc1Cl
InChIKey: VEIZKTHGVDOUAI-UHFFFAOYSA-N
Molecular formula: C4H3ClN2O
Average molar mass: 130.53 g/mol
Monoisotopic mass: 129.9933904

Names & identifiers

Preferred name: Pyridazine, 3-chloro-, 2-oxide
IUPAC: 6-chloro-1-oxidopyridazin-1-ium

Names & synonyms

Pyridazine, 3-chloro-, 2-oxide7217-75-6DTXSID80423314RefChem:376349DTXCID603741536-chloropyridazine 1-oxideSCHEMBL2317506SCHEMBL8629683VEIZKTHGVDOUAI-UHFFFAOYSA-N6-Chloro-1-oxo-1lambda~5~-pyridazine

Database identifiers

CAS: 7217-75-6
PubChem CID: 6403197
DTXSID: DTXSID80423314

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 38.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 80.4

Related reactions

3 records

New reaction record

HRID 42320As reactantuspto-grants-2013_09

HRID 2096354As reactantuspto-grants-2013_05

HRID 2274514As reactantuspto-grants-2015_09

Compound notes

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