The CAS register number of Cycloheptane,(iodomethyl)- is 226723-95-1. It also can be called as Cycloheptylisothiocyanate and the systematic name about this chemical is (iodomethyl)cycloheptane. The molecular formula about this chemical is C8H15I and the molecular weight is 238.11.
Physical properties about Cycloheptane,(iodomethyl)- are: (1)ACD/LogP: 4.65; (2)ACD/LogD (pH 5.5): 4.65; (3)ACD/LogD (pH 7.4): 4.65; (4)ACD/BCF (pH 5.5): 2021.03; (5)ACD/BCF (pH 7.4): 2021.03; (6)ACD/KOC (pH 5.5): 8085.85; (7)ACD/KOC (pH 7.4): 8085.85; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.52; (10)Molar Refractivity: 49.94 cm3; (11)Molar Volume: 164 cm3; (12)Polarizability: 19.79x10-24cm3; (13)Surface Tension: 34.8 dyne/cm; (14)Density: 1.451 g/cm3; (15)Flash Point: 95.4 °C; (16)Enthalpy of Vaporization: 45.26 kJ/mol; (17)Boiling Point: 235 °C at 760 mmHg; (18)Vapour Pressure: 0.0786 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC1CCCCCC1
(2)InChI: InChI=1/C8H15I/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
(3)InChIKey: VCDFCRRIMCDUPA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H15I/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
(5)Std. InChIKey: VCDFCRRIMCDUPA-UHFFFAOYSA-N
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