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Details

Stereochemistry RACEMIC
Molecular Formula C11H9F2N3O.CH4O3S
Molecular Weight 333.311
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate

SMILES

CS(O)(=O)=O.FC1=CC=C(C(F)=C1)C3(CN2C=NC=N2)CO3

InChI

InChIKey=NJBRNNOGZPVNNR-UHFFFAOYSA-N
InChI=1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C11H9F2N3O
Molecular Weight 237.2055
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
QB4948WV8P
Record Status Validated (UNII)
Record Version