This chemical is called 1H-1,4-Benzodiazepine, 9-chloro-2,3,4,5-tetrahydro-, and its systematic name is 9-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine. With the molecular formula of C9H11ClN2, its molecular weight is 182.65. The CAS registry number of this chemical is 886365-62-4.
Other characteristics of the 1H-1,4-Benzodiazepine, 9-chloro-2,3,4,5-tetrahydro- can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.41; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)Polar Surface Area: 24.06 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 50.01 cm3; (9)Molar Volume: 158 cm3; (10)Polarizability: 19.82×10-24cm3; (11)Surface Tension: 39 dyne/cm; (12)Density: 1.155 g/cm3; (13)Flash Point: 146.9 °C; (14)Enthalpy of Vaporization: 56.09 kJ/mol; (15)Boiling Point: 319.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000341 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cccc2CNCCNc12
2.InChI: InChI=1/C9H11ClN2/c10-8-3-1-2-7-6-11-4-5-12-9(7)8/h1-3,11-12H,4-6H2
3.InChIKey: LHFVXYGUIKBUII-UHFFFAOYAJ
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