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CAS No.: | 70315-70-7 |
---|---|
Name: | 3-Iodo-6-nitroindazole |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H4IN3O2 |
Molecular Weight: | 289.032 |
Synonyms: | 3-Iodo-6-nitro-1H-indazole;3-Iodo-6-nitroindazole; |
Density: | 2.24 g/cm3 |
Melting Point: | 259-261 °C |
Boiling Point: | 458.027 °C at 760 mmHg |
Flash Point: | 230.807 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-60 |
Safety: | 53-22-36/37/39-45 |
PSA: | 74.50000 |
LogP: | 2.59890 |
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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