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Details

Stereochemistry RACEMIC
Molecular Formula C10H12BrNO2.BrH
Molecular Weight 339.024
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BR-4,5-MDA HYDROBROMIDE

SMILES

Br.CC(N)CC1=C(Br)C=C2OCOC2=C1

InChI

InChIKey=DVZGWOJTRIXDJL-UHFFFAOYSA-N
InChI=1S/C10H12BrNO2.BrH/c1-6(12)2-7-3-9-10(4-8(7)11)14-5-13-9;/h3-4,6H,2,5,12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
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

Molecular Formula C10H12BrNO2
Molecular Weight 258.112
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
7XC3EXN99Z
Record Status Validated (UNII)
Record Version