5-(3-Bromophenyl)-2-ethoxy-5-fluoro-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

HCID 68359207
NotesReactions
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Basic information

Standard SMILES
CCOC1=NS(=O)(=O)C(F)(c2cccc(Br)c2)C(C)(C)O1
InChIKey
UMQFMVFVRDVKFF-UHFFFAOYSA-N
Molecular formula
C13H15BrFNO4S
Average molar mass
380.23 g/mol

Names & identifiers

Preferred name
5-(3-Bromophenyl)-2-ethoxy-5-fluoro-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide
IUPAC
5-(3-bromophenyl)-2-ethoxy-5-fluoro-6,6-dimethyl-1,4,3-oxathiazine 4,4-dioxide

Names & synonyms

SCHEMBL12699919UMQFMVFVRDVKFF-UHFFFAOYSA-N5-(3-Bromophenyl)-2-ethoxy-5-fluoro-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

Database identifiers

PubChem CID
68359207

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
73.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
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Compound notes

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