910442-25-0
3-(3-BROMO-PHENYL)-3A,4,6,6A-TETRAHYDRO-THIENO[3,4-D]ISOXAZOLE 5,5-DIOXIDE
Name3-(3-BROMO-PHENYL)-3A,4,6,6A-TETRAHYDRO-THIENO[3,4-D]ISOXAZOLE 5,5-DIOXIDE
pro_formulaC11 H10 Br N O3 S
1Identification
【Name】
3-(3-BROMO-PHENYL)-3A,4,6,6A-TETRAHYDRO-THIENO[3,4-D]ISOXAZOLE 5,5-DIOXIDE
【CAS】
【MDL】
MFCD08706440
【EnglishSynonyms】
【pro_formula】
C11 H10 Br N O3 S
【pro_molWeight】
316.174
【Inchi】
InChI=1S/C11H10BrNO3S/c12-8-3-1-2-7(4-8)11-9-5-17(14,15)6-10(9)16-13-11/h1-4,9-10H,5-6H2
【InChIKey】
InChIKey=AAMNIIBHGHTALO-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)C2=NOC3C2CS(=O)(=O)C3
【MOL File】
3-(3-BROMO-PHENYL)-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(3-BROMO-PHENYL)-3A,4,6,6A-TETRAHYDRO-THIENO[3,4-D]ISOXAZOLE 5,5-DIOXIDE.cml