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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11BrN2O3
Molecular Weight 311.131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROPHEBARBITAL

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC(Br)=C2

InChI

InChIKey=DFTKCGKSDZVCTO-UHFFFAOYSA-N
InChI=1S/C12H11BrN2O3/c1-2-12(7-4-3-5-8(13)6-7)9(16)14-11(18)15-10(12)17/h3-6H,2H2,1H3,(H2,14,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C12H11BrN2O3
Molecular Weight 311.131
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
LAD0UT1E4E
Record Status Validated (UNII)
Record Version