U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7F2N3O
Molecular Weight 223.1789
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIFLUORO-.ALPHA.-(1H-1,2,4-TRIAZOLYL)ACETOPHENONE

SMILES

FC1=CC=C(C(=O)CN2C=NC=N2)C(F)=C1

InChI

InChIKey=XCHRPVARHBCFMJ-UHFFFAOYSA-N
InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2

HIDE SMILES / InChI

Molecular Formula C10H7F2N3O
Molecular Weight 223.1789
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
HXI8R9R915
Record Status Validated (UNII)
Record Version