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Details

Stereochemistry RACEMIC
Molecular Formula C11H16BrNO3
Molecular Weight 290.154
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOB

SMILES

COC(CN)C1=C(OC)C=C(Br)C(OC)=C1

InChI

InChIKey=FYTLQNZPDWLGNU-UHFFFAOYSA-N
InChI=1S/C11H16BrNO3/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3/h4-5,11H,6,13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H16BrNO3
Molecular Weight 290.154
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
89A0HNR42S
Record Status Validated (UNII)
Record Version