3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole supplier

Name
3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
EINECS
CAS No. 886230-74-6
Article Data5
CAS DataBase
Density 2.014 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂IN₃O₃
Boiling Point 504.111 °C at 760 mmHg
Molecular Weight 373.15
Flash Point 258.678 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Iodo-6-nitro-1-(tetrahydro-pyran-2-yl)-1H-indazole;
PSA 72.87000
LogP 3.77140

3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole Specification

The 3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, with the CAS registry number 886230-74-6, is also known as 3-Iodo-6-nitro-1-(tetrahydro-pyran-2-yl)-1H-indazole. The chemical's molecular formula is C₁₂H₁₂IN₃O₃ and molecular weight is 373.15. What's more, its systematic name is 3-Iodo-6-nitro-1-tetrahydropyran-2-yl-indazole.

Physical properties of 3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole are: (1)ACD/LogP: 3.401; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.40; (4)ACD/LogD (pH 7.4): 3.40; (5)ACD/BCF (pH 5.5): 226.40; (6)ACD/BCF (pH 7.4): 226.40; (7)ACD/KOC (pH 5.5): 1687.43; (8)ACD/KOC (pH 7.4): 1687.43; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.87 Å²; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 76.911 cm³; (15)Molar Volume: 185.269 cm³; (16)Polarizability: 30.49×10^-24cm³; (17)Surface Tension: 69.29 dyne/cm; (18)Density: 2.014 g/cm³; (19)Flash Point: 258.678 °C; (20)Enthalpy of Vaporization: 74.421 kJ/mol; (21)Boiling Point: 504.111 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc3c(I)nn(C1CCCCO1)c3c2
(2)Std. InChI: InChI=1S/C12H12IN3O3/c13-12-9-5-4-8(16(17)18)7-10(9)15(14-12)11-3-1-2-6-19-11/h4-5,7,11H,1-3,6H2
(3)Std. InChIKey: BLNITUQUAUXMJG-UHFFFAOYSA-N

Product Name

3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole Specification

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