2,3,4,5-TETRAHYDRO-7,8-DINITRO-3-(TRIFLUOROACETYL)-1,5-METHANO-1H-3-BENZAZEPINE

CAS No.
230615-59-5
CCD No.
CCD00948268
Formula
C13 H10 F3 N3 O5
MolWeight
345.232

Basic Information

Product Name: 2,3,4,5-TETRAHYDRO-7,8-DINITRO-3-(TRIFLUOROACETYL)-1,5-METHANO-1H-3-BENZAZEPINE
CAS: 230615-59-5
English Synonyms: 1-(4,5-DINITRO-10-AZA-TRICYCLO[6.3.1.0]DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUORO-ETHANONE ; 1-(7,8-DINITRO-4,5-DIHYDRO-1H-1,5-METHANOBENZO[D]AZEPIN-3(2H)-YL)-2,2,2-TRIFLUOROETHANONE ; 2,2,2-TRIFLUORO-1-(1,2,4,5-TETRAHYDRO-7,8-DINITRO-1,5-METHANO-3H-3-BENZAZEPIN-3-YL)-ETHANONE ; 7,8-DINITRO-3-(TRIFLUOROACETYL)-2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE ; VARENICLINE INTERMEDIATE ; 1-(4,5-DINITRO-10-AZATRICYCLO[6.3.1.0]DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUOROETHANONE ; 2,3,4,5-TETRAHYDRO-7,8-DINITRO-3-(TRIFLUOROACETYL)-1,5-METHANO-1H-3-BENZAZEPINE ; ETHANONE, 2,2,2-TRIFLUORO-1-(1,2,4,5-TETRAHYDRO-7,8-DINITRO-1,5-METHANO-3H-3-BENZAZEPIN-3-YL)-
MDL Number.: MFCD10566032
H bond acceptor: 8
H bond donor: 0
Smile: c1c2c(cc(c1[N+](=O)[O-])[N+](=O)[O-])[C@H]3C[C@@H]2CN(C3)C(=O)C(F)(F)F
InChi: InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2/t6-,7+
InChiKey: InChIKey=BDTXJBWOCIFUMR-KNVOCYPGSA-N

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