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

HCID 68359202
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Basic information

Standard SMILES
COC1=NS(=O)(=O)C(c2cccc(Br)c2)C(C)(C)O1
InChIKey
AFJLZBPUYMNBJL-UHFFFAOYSA-N
Molecular formula
C12H14BrNO4S
Average molar mass
348.21 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL12699909AFJLZBPUYMNBJL-UHFFFAOYSA-N5-(3-Bromophenyl)-2-methoxy-6,6-dimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

Database identifiers

PubChem CID
68359202

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
73.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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