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3-Iodo-6-nitroindazole

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Name

3-Iodo-6-nitroindazole

EINECS N/A
CAS No. 70315-70-7 Density 2.24 g/cm3
PSA 74.50000 LogP 2.59890
Solubility N/A Melting Point 259-261 °C
Formula C7H4IN3O2 Boiling Point 458.027 °C at 760 mmHg
Molecular Weight 289.032 Flash Point 230.807 °C
Transport Information N/A Appearance N/A
Safety 53-22-36/37/39-45 Risk Codes 22-60
Molecular Structure Molecular Structure of 70315-70-7 (3-Iodo-6-nitroindazole) Hazard Symbols Xn
Synonyms

3-Iodo-6-nitro-1H-indazole;3-Iodo-6-nitroindazole;

Article Data 21

3-Iodo-6-nitroindazole Specification

The cas register number of 3-Iodo-6-nitroindazole is 70315-70-7. It also can be called as 3-Iodo-6-nitro-1H-indazole and the Systematic name about this chemical is 3-iodo-6-nitro-1H-indazole. 

Physical properties about 3-Iodo-6-nitroindazole are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 132; (5)ACD/BCF (pH 7.4): 129; (6)ACD/KOC (pH 5.5): 1145; (7)ACD/KOC (pH 7.4): 1124; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.5Å2; (12)Index of Refraction: 1.818; (13)Molar Refractivity: 56.072 cm3; (14)Molar Volume: 129.01 cm3; (15)Polarizability: 22.229x10-24cm3; (16)Surface Tension: 88.731 dyne/cm; (17)Enthalpy of Vaporization: 69.071 kJ/mol; (18)Boiling Point: 458.027 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)nnc2I
(2)InChI: InChI=1/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(3)InChIKey: GZCGNGLOCQEDMT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(5)Std. InChIKey: GZCGNGLOCQEDMT-UHFFFAOYSA-N

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