1,3-Benzenediol,2-iodo- (41046-67-7)

The CAS register number of 2-Iodobenzene-1,3-diol is 41046-67-7. It also can be called as 1,3-Benzenediol,2-iodo- and the systematic name about this chemical is 2-iodobenzene-1,3-diol. The molecular formula about this chemical is C₆H₅IO₂ and molecular weight is 236.01.

Physical properties about 2-Iodobenzene-1,3-diol are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 21.8; (5)ACD/BCF (pH 7.4): 17.45; (6)ACD/KOC (pH 5.5): 315.69; (7)ACD/KOC (pH 7.4): 252.72; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46Ų; (12)Index of Refraction: 1.722; (13)Molar Refractivity: 42.92 cm³; (14)Molar Volume: 108.3 cm³; (15)Polarizability: 17.01x10^-24cm³; (16)Surface Tension: 69.5 dyne/cm; (17)Enthalpy of Vaporization: 45.11 kJ/mol; (18)Boiling Point: 197.2 °C at 760 mmHg; (19)Vapour Pressure: 0.273 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(O)cccc1O
(2)InChI: InChI=1/C6H5IO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
(3)InChIKey: BNJXHRMYHDWZKL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5IO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
(5)Std. InChIKey: BNJXHRMYHDWZKL-UHFFFAOYSA-N