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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9F2N5.ClH
Molecular Weight 297.691
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BW-534U87

SMILES

Cl.NC1=NC=CC2=C1N=NN2CC3=C(F)C=CC=C3F

InChI

InChIKey=JKXUBXRPDZPXOD-UHFFFAOYSA-N
InChI=1S/C12H9F2N5.ClH/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19;/h1-5H,6H2,(H2,15,16);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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 C12H9F2N5
Molecular Weight 261.2302
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
NC9ZJDHOZ7
Record Status Validated (UNII)
Record Version