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Details

Stereochemistry ACHIRAL
Molecular Formula C14H7Br3F3N3O4
Molecular Weight 577.93
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMETHALIN

SMILES

CN(C1=C(Br)C=C(Br)C=C1Br)C2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=USMZPYXTVKAYST-UHFFFAOYSA-N
InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C14H7Br3F3N3O4
Molecular Weight 577.93
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

PubMed

Substance Class Chemical
Record UNII
GM59MTH1FS
Record Status Validated (UNII)
Record Version