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1H-Indazole,4-chloro-1-methyl-

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Name

1H-Indazole,4-chloro-1-methyl-

EINECS N/A
CAS No. 162502-53-6 Density 1.3 g/cm3
PSA 17.82000 LogP 2.22670
Solubility N/A Melting Point N/A
Formula C8H7ClN2 Boiling Point 270.8 °C at 760 mmHg
Molecular Weight 166.61 Flash Point 117.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 162502-53-6 (4-Chloro-1-methyl-1H-indazole) Hazard Symbols N/A
Synonyms

4-Chloro-1-methyl-1H-indazole;4-Chloro-1-methylindazole;4-chloro-1-methyl-1H-indazole;

Article Data 3

1H-Indazole,4-chloro-1-methyl- Specification

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

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