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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11ClF3N3.ClH
Molecular Weight 302.124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Org-12962 hydrochloride

SMILES

Cl.FC(F)(F)C1=CC=C(N=C1Cl)N2CCNCC2

InChI

InChIKey=FVDILXYXZAAJOS-UHFFFAOYSA-N
InChI=1S/C10H11ClF3N3.ClH/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17;/h1-2,15H,3-6H2;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 C10H11ClF3N3
Molecular Weight 265.663
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
PZ5RGN8MR8
Record Status Validated (UNII)
Record Version