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160377-48-0

Basic Information
CAS No.: 160377-48-0
Name: 5-(4-IODOPHENYL)ISOXAZOLE
Article Data: 1
Molecular Structure:
Molecular Structure of 160377-48-0 (5-(4-IODOPHENYL)ISOXAZOLE)
Formula: C9H6INO
Molecular Weight: 271.057
Synonyms: 5-(4-Iodophenyl)isoxazole;BUTTPARK 81\09-48;
Density: 1.773 g/cm3
Melting Point: 139 °C
Boiling Point: 344.2 °C at 760 mmHg
Flash Point: 162 °C
PSA: 26.03000
LogP: 2.94620
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    5-(4-IODOPHENYL)ISOXAZOLE; BUTTPARK 81\09-48 CAS No.: 160377-48-0 Molecular formula: C9H6INO Molecular weight: 271.05 5-(4-iodophenyl)isoxazole Melting point 139 °C 5-(4-iodophenyl)isoxazole Use and synthesis method Security I

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Specification

The CAS register number of Isoxazole,5-(4-iodophenyl)- is 160377-48-0. The systematic name about this chemical is 5-(4-iodophenyl)isoxazole. The molecular formula about this chemical is C9H6INO and the molecular weight is 271.05.

Physical properties about Isoxazole,5-(4-iodophenyl)- are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 3.64; (4)ACD/BCF (pH 5.5): 341.71; (5)ACD/BCF (pH 7.4): 341.71; (6)ACD/KOC (pH 5.5): 2265.7; (7)ACD/KOC (pH 7.4): 2265.7; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 54.14 cm3; (13)Molar Volume: 152.8 cm3; (14)Polarizability: 21.46x10-24cm3; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.773 g/cm3; (17)Flash Point: 162 °C; (18)Enthalpy of Vaporization: 56.49 kJ/mol; (19)Boiling Point: 344.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc(c1oncc1)cc2
(2)InChI: InChI=1/C9H6INO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
(3)InChIKey: TYNWYXFACGRXMG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H6INO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
(5)Std. InChIKey: TYNWYXFACGRXMG-UHFFFAOYSA-N