Product Name

1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl- Specification

This chemical is called 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl-, and its systematic name is 6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol. With the molecular formula of C16H16ClNO2, its molecular weight is 289.76. The CAS registry number of this chemical is 71636-61-8.

Other characteristics of the 1H-3-Benzazepine-7,8-diol,6-chloro-2,3,4,5-tetrahydro-1-phenyl- can be summarised as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.55; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 79.48 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 31.51×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 236.4 °C; (20)Enthalpy of Vaporization: 75.72 kJ/mol; (21)Boiling Point: 467.3 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1c3c(cc(O)c1O)C(c2ccccc2)CNCC3
2.InChI: InChI=1/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
3.InChIKey: GHWJEDJMOVUXEC-UHFFFAOYAJ

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