1H-Inden-1-one,2,3-dihydro-7-iodo- (628732-02-5)

The 1H-Inden-1-one,2,3-dihydro-7-iodo-, with the cas registry number 628732-02-5, has the IUPAC name of 7-iodo-2,3-dihydroinden-1-one. This chemical is usually used as the inorganic salt.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.08; (6)ACD/BCF (pH 7.4): 141.08; (7)ACD/KOC (pH 5.5): 1202.79; (8)ACD/KOC (pH 7.4): 1202.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 51.46 cm³; (15)Molar Volume: 137 cm³; (16)Polarizability: 20.4 ×10^-24 cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.882 g/cm³; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 56.96 kJ/mol; (21)Boiling Point: 327.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000204 mmHg at 25°C; (23)Exact Mass: 257.954158; (24)MonoIsotopic Mass: 257.954158; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 178.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CC(=O)C2=C1C=CC=C2I
(2)InChI: InChI=1S/C9H7IO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
(3)InChIKey: NKVIZRKBYNZSAX-UHFFFAOYSA-N