Ethanone,2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)- (230615-59-5)

The 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, with the cas register number 230615-59-5, has its systematic name of 1-(7,8-dinitro-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)-2,2,2-trifluoroethanonato. And it has other names as 7,8-dinitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1h-1,5-methano-3-benzazepine; 1-(4,5-dinitro-10-aza-tricyclo[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone; ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3h-3-benzazepin-3-yl)-; 2,3,4,5-tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1h-3-benzazepine.

The characteristics of this chemical could be summarized as: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 136; (5)ACD/BCF (pH 7.4): 136; (6)ACD/KOC (pH 5.5): 1172; (7)ACD/KOC (pH 7.4): 1172; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 111.95; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 72.023 cm³; (13)Molar Volume: 215.147 cm³; (14)Polarizability: 28.552 ×10^-24 cm³; (15)Surface Tension: 56.014 dyne/cm; (16)Density: 1.605 g/cm³; (17)Flash Point: 268.533 °C; (18)Enthalpy of Vaporization: 79.338 kJ/mol; (19)Boiling Point: 520.407 °C at 760 mmHg.

As to its product categories, they are many, such as API intermediates and Varenicline Intermediate.

In addition, you could refer to the following information to obtain the molecular structure:
(1)SMILES:FC(F)(F)C(=O)N1CC3CC(C1)c2cc([N+]([O-])=O)c(cc23)[N+]([O-])=O
(2)InChI:InChI=1/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