5H-1-Benzazepin-5-one,7-chloro-1,2,3,4-tetrahydro- (160129-45-3)

The CAS register number of 7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is 160129-45-3. It also can be called as 5H-1-Benzazepin-5-one,7-chloro-1,2,3,4-tetrahydro- and the systematic name about this chemical is 7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one. The molecular formula about this chemical is C₁₀H₁₀ClNO and the molecular weight is 195.65.

Physical properties about 7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one are: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 3.85; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 493.5; (5)ACD/BCF (pH 7.4): 493.85; (6)ACD/KOC (pH 5.5): 2946.92; (7)ACD/KOC (pH 7.4): 2949.02; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1Ų; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 51.41 cm³; (13)Molar Volume: 158.4 cm³; (14)Polarizability: 20.38x10^-24cm³; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 60.18 kJ/mol; (17)Boiling Point: 356.5 °C at 760 mmHg; (18)Vapour Pressure: 2.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2NCCCC(=O)c2c1
(2)InChI: InChI=1/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2
(3)InChIKey: AHESNFIUAHTYGS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2
(5)Std. InChIKey: AHESNFIUAHTYGS-UHFFFAOYSA-N