3-bromo-5-methoxy-1-(2,2,3,3,7-pentafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-4(1H)-one

HCID 59436151
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Basic information

Standard SMILES
COc1cn(-c2cc3c(cc2F)OC(F)(F)C(F)(F)O3)nc(Br)c1=O
InChIKey
VWXWPRQCOHCNGJ-UHFFFAOYSA-N
Molecular formula
C13H6BrF5N2O4
Average molar mass
429.09 g/mol
Monoisotopic mass
427.94311

Names & identifiers

Preferred name
3-bromo-5-methoxy-1-(2,2,3,3,7-pentafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-4(1H)-one
IUPAC
3-bromo-5-methoxy-1-(2,2,3,3,6-pentafluoro-1,4-benzodioxin-7-yl)pyridazin-4-one

Names & synonyms

3-bromo-5-methoxy-1-(2,2,3,3,7-pentafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-4(1H)-oneSCHEMBL519137

Database identifiers

PubChem CID
59436151

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
2
Heavy atoms
25

Related reactions

6 records
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Compound notes

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