CAS No.886230-77-9,(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	886230-77-9
Name:	(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Formula:	C₁₉H₁₈IN₃O
Molecular Weight:	431.27
Synonyms:	(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H
EINECS:	1312995-182-4
Density:	1.6 g/cm³
Boiling Point:	561.2 °C at 760 mmHg
Flash Point:	293.2 °C

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Specification

The (E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole is an organic compound with the formula C₁₉H₁₈IN₃O. With the CAS registry number 886230-77-9, the systematic name of this chemical is 6-iodo-3-[(E)-2-(2-pyridyl)vinyl]-1-tetrahydropyran-2-yl-indazole.

Physical properties about (E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole are: (1)ACD/LogP: 4.33; (2)ACD/LogD (pH 5.5): 4.33; (3)ACD/LogD (pH 7.4): 4.33; (4)ACD/BCF (pH 5.5): 1152.17; (5)ACD/BCF (pH 7.4): 1158.91; (6)ACD/KOC (pH 5.5): 5398.89; (7)ACD/KOC (pH 7.4): 5430.45; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.94 ^Å2; (11)Index of Refraction: 1.701; (12)Molar Refractivity: 104.02 cm³; (13)Molar Volume: 268.6 cm³; (14)Polarizability: 41.23×10^-24cm³; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.6 g/cm³; (17)Flash Point: 293.2 °C; (18)Enthalpy of Vaporization: 81.25 kJ/mol; (19)Boiling Point: 561.2 °C at 760 mmHg; (20)Vapour Pressure: 4.79E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)C=Cc2c3ccc(cc3n(n2)C4CCCCO4)I
(2)InChI: InChI=1/C19H18IN3O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-8+
(3)InChIKey: QXJFRDDGGSSQDX-CSKARUKUBP
(4)Std. InChI: InChI=1S/C19H18IN3O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-8+
(5)Std. InChIKey: QXJFRDDGGSSQDX-CSKARUKUSA-N