Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H13F2N3O2.CH4O3S |
Molecular Weight | 365.353 |
Optical Activity | ( - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.C[C@@H](O)[C@](O)(CN1C=NC=N1)C2=CC=C(F)C=C2F
InChI
InChIKey=RWPFLARVZWFRBO-DAIXLEOSSA-N
InChI=1S/C12H13F2N3O2.CH4O3S/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14;1-5(2,3)4/h2-4,6-8,18-19H,5H2,1H3;1H3,(H,2,3,4)/t8-,12-;/m1./s1
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C12H13F2N3O2 |
Molecular Weight | 269.2473 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:56:06 GMT 2023
by
admin
on
Sat Dec 16 19:56:06 GMT 2023
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Record UNII |
T9XSV4CR5Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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112500554
Created by
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1175536-50-1
Created by
admin on Sat Dec 16 19:56:06 GMT 2023 , Edited by admin on Sat Dec 16 19:56:06 GMT 2023
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T9XSV4CR5Y
Created by
admin on Sat Dec 16 19:56:06 GMT 2023 , Edited by admin on Sat Dec 16 19:56:06 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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