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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6BrClN2O2
Molecular Weight 325.545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRROLE-2-CARBOXYLIC ACID, 3-BROMO-5-(P-CHLOROPHENYL)-4-CYANO-

SMILES

OC(=O)C1=C(Br)C(C#N)=C(N1)C2=CC=C(Cl)C=C2

InChI

InChIKey=YMGXEDMLEIMMIY-UHFFFAOYSA-N
InChI=1S/C12H6BrClN2O2/c13-9-8(5-15)10(16-11(9)12(17)18)6-1-3-7(14)4-2-6/h1-4,16H,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C12H6BrClN2O2
Molecular Weight 325.545
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
Z7R7C42M7F
Record Status Validated (UNII)
Record Version