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| CAS No.: | 885518-92-3 |
|---|---|
| Name: | 3-IODO-5-METHYL (1H)INDAZOLE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H7IN2 |
| Molecular Weight: | 258.061 |
| Synonyms: | 3-IODO-5-METHYL (1H)INDAZOLE;3-iodo-5-methyl-1H-indazole(SALTDATA: FREE) |
| Density: | 1.933g/cm3 |
| Boiling Point: | 368.6 °C at 760 mmHg |
| Flash Point: | 176.7 °C |
| PSA: | 28.68000 |
| LogP: | 2.47590 |
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- Total:25 Page 1 of 1 1
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Specification
The 1H-Indazole,3-iodo-5-methyl-, with CAS registry number 885518-92-3, belongs to the following product categories: (1)Building Blocks; (2)Indazole. It has the systematic name of 3-iodo-5-methyl-1H-indazole. And the chemical formula of this chemical is C8H7IN2.
Physical properties of 1H-Indazole,3-iodo-5-methyl-: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 327.31; (6)ACD/BCF (pH 7.4): 327.31; (7)ACD/KOC (pH 5.5): 2196.91; (8)ACD/KOC (pH 7.4): 2196.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 54.35 cm3; (15)Molar Volume: 133.4 cm3; (16)Polarizability: 21.54×10-24cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.933 g/cm3; (19)Flash Point: 176.7 °C; (20)Enthalpy of Vaporization: 59.11 kJ/mol; (21)Boiling Point: 368.6 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(cc1)nnc2I
(2)InChI: InChI=1/C8H7IN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: IZIWHSYVQDJETA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H7IN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: IZIWHSYVQDJETA-UHFFFAOYSA-N