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CAS No.: | 121138-00-9 |
---|---|
Name: | 2-(Iodomethyl)oxetane |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H7IO |
Molecular Weight: | 198.003 |
Synonyms: | 2-(IODOMETHYL)OXETANE |
Density: | 1.943 g/cm3 |
Boiling Point: | 187.29 °C at 760 mmHg |
Flash Point: | 67.071 °C |
PSA: | 9.23000 |
LogP: | 1.21030 |
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The 2-(Iodomethyl)oxetane has CAS registry number 121138-00-9. Its molecular formula is C4H7IO and molecular weight is 198.0023. What's more, its systematic name is 2-(Iodomethyl)oxetane.
Physical properties about the 2-(Iodomethyl)oxetane are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.134; (4)ACD/LogD (pH 7.4): 1.134; (5)ACD/BCF (pH 5.5): 4.282; (6)ACD/BCF (pH 7.4): 4.282; (7)ACD/KOC (pH 5.5): 98.576; (8)ACD/KOC (pH 7.4): 98.576; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 33.104 cm3; (15)Molar Volume: 101.912 cm3; (16)Surface Tension: 44.392 dyne/cm; (17)Density: 1.943 g/cm3; (18)Flash Point: 67.071 °C; (19)Enthalpy of Vaporization: 40.616 kJ/mol; (20)Boiling Point: 187.29 °C at 760 mmHg; (21)Vapour Pressure: 0.874 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1COC1CI
(2) InChI: InChI=1/C4H7IO/c5-3-4-1-2-6-4/h4H,1-3H2
(3) InChIKey: JVPHNTROOBLPKR-UHFFFAOYAE