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CAS No.: | 162502-53-6 |
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Name: | 4-Chloro-1-methyl-1H-indazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H7ClN2 |
Molecular Weight: | 166.61 |
Synonyms: | 4-Chloro-1-methyl-1H-indazole;4-Chloro-1-methylindazole;4-chloro-1-methyl-1H-indazole; |
Density: | 1.3 g/cm3 |
Boiling Point: | 270.8 °C at 760 mmHg |
Flash Point: | 117.6 °C |
PSA: | 17.82000 |
LogP: | 2.22670 |
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The 1H-Indazole,4-chloro-1-methyl-, with the CAS registry number 162502-53-6, has the systmatic name of 4-chloro-1-methyl-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H7ClN2.
The physical properties of 1H-Indazole,4-chloro-1-methyl- are as following: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.87; (6)ACD/BCF (pH 7.4): 48.87; (7)ACD/KOC (pH 5.5): 563.14; (8)ACD/KOC (pH 7.4): 563.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 270.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2cnn1C
(2)InChI: InChI=1/C8H7ClN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
(3)InChIKey: KTULONOQBDLTCJ-UHFFFAOYAD