3-Fluorosulfonyl-6-methoxypyridazine

HCID 11030636

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 454182-00-4
Standard SMILES: COc1ccc(S(=O)(=O)F)nn1
InChIKey: IMOAIQFWGABIHK-UHFFFAOYSA-N
Molecular formula: C5H5FN2O3S
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.00049124

Names & identifiers

Preferred name: 3-Fluorosulfonyl-6-methoxypyridazine
IUPAC: 6-methoxypyridazine-3-sulfonyl fluoride

Names & synonyms

454182-00-43-fluorosulfonyl-6-methoxypyridazineDTXSID30452553RefChem:279547DTXCID204033726-methoxypyridazine-3-sulfonyl Fluoride6-methoxy-pyridazine-3-sulfonyl fluorideSCHEMBL4450397IMOAIQFWGABIHK-UHFFFAOYSA-N3-fluorosulfonyl-6-methoxy-pyridazine

Database identifiers

CAS: 454182-00-4
PubChem CID: 11030636
DTXSID: DTXSID30452553

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 238

Related reactions

18 records

New reaction record

HRID 22737As reactantuspto-grants-2005_02

HRID 22739As reactantuspto-grants-2005_02

HRID 22754As reactantuspto-grants-2005_02

HRID 22756As reactantuspto-grants-2005_02

HRID 142741As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 951129As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 985404As reactantuspto-grants-2005_03

HRID 1369470As reactantuspto-grants-2003_06

Compound notes

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