CAS Registry Number 23516-80-5
Name:
Ethanone, 1-​(3-​aminophenyl)​-​2,​2,​2-​trifluoro-
Acetophenone, 3'-amino-2,2,2-trifluoro- (8CI)
1-(3-Aminophenyl)-2,2,2-trifluoroethanone
3-(Trifluoroacetyl)aniline
3'-Amino-2,2,2-trifluoroacetophenone
m-Aminotrifluoroacetophenone

Chemical Formula: C8H6F3NO
Exact Mass: 189.04
Molecular Weight: 189.13
m/z: 189.04 (100.0%), 190.04 (9.1%)

InChI: InChI=1S/C15H16N10O4S3/c1-24-15(21-22-23-24)32-3-5-2-30-12-8(11(27)25(12)9(5)13(28)29)19-10(26)7(20-17)6-4-31-14(16)18-6/h4,8,12H,2-3,17H2,1H3,(H2,16,18)(H,19,26)(H,28,29)/b20-7+/t8-,12-/m1/s1
InChIKey: MXBJJWBLJVAOPY-XPPPSQRSSA-N
Canonical SMILES : CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NN)C4=CSC(=N4)N)SC2)C(=O)O
Isomeric SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/N)/C4=CSC(=N4)N)SC2)C(=O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013100632 A1 20130704. 

PCT Int. Appl. (2009), WO 2009151098 A1 20091217.