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CAS No.: | 28177-50-6 |
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Name: | 2-FLUORO-6-IODOPHENOL,98% |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4FIO |
Molecular Weight: | 238 |
Synonyms: | 2-Fluoro-6-iodophenol; |
Density: | 2.085g/cm3 |
Boiling Point: | 169.319 °C at 760 mmHg |
Flash Point: | 56.203 °C |
PSA: | 20.23000 |
LogP: | 2.13590 |
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The Phenol,2-fluoro-6-iodo-, with CAS registry number 28177-50-6, belongs to the following product category: Phenol & Thiophenol & Mercaptan. It has the systematic name of 2-fluoro-6-iodophenol. And the chemical formula of this chemical is C6H4FIO.
Physical properties of Phenol,2-fluoro-6-iodo-: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 90; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 868; (8)ACD/KOC (pH 7.4): 369; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 41.035 cm3; (15)Molar Volume: 114.146 cm3; (16)Polarizability: 16.268×10-24cm3; (17)Surface Tension: 50.989 dyne/cm; (18)Density: 2.085 g/cm3; (19)Flash Point: 56.203 °C; (20)Enthalpy of Vaporization: 42.241 kJ/mol; (21)Boiling Point: 169.319 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(I)c1O
(2)InChI: InChI=1/C6H4FIO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
(3)InChIKey: ZFARONFWYBCKDO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4FIO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
(5)Std. InChIKey: ZFARONFWYBCKDO-UHFFFAOYSA-N