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1H-Indazole,1-methyl-6-nitro-

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Name

1H-Indazole,1-methyl-6-nitro-

EINECS N/A
CAS No. 6850-23-3 Density 1.42 g/cm3
PSA 63.64000 LogP 2.00470
Solubility N/A Melting Point 122-123 °C
Formula C8H7N3O2 Boiling Point 332.9 °C at 760 mmHg
Molecular Weight 177.162 Flash Point 155.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6850-23-3 (1-METHYL-6-NITRO-1H-INDAZOLE) Hazard Symbols N/A
Synonyms

1-Methyl-6-nitroindazole;NSC 131654;

Article Data 32

1H-Indazole,1-methyl-6-nitro- Specification

The CAS register number of 1H-Indazole,1-methyl-6-nitro- is 6850-23-3. It also can be called as 1-Methyl-6-nitroindazole and the systematic name about this chemical is 1-methyl-6-nitro-1H-indazole. The molecular formula about this chemical is C8H7N3O2 and the molecular weight is 177.16.

Physical properties about 1H-Indazole,1-methyl-6-nitro- are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.86; (5)ACD/BCF (pH 7.4): 17.86; (6)ACD/KOC (pH 5.5): 274.03; (7)ACD/KOC (pH 7.4): 274.03; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.64 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 46.79 cm3; (13)Molar Volume: 124.2 cm3; (14)Polarizability: 18.55x10-24cm3; (15)Surface Tension: 59.6 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 155.1 °C; (18)Enthalpy of Vaporization: 55.28 kJ/mol; (19)Boiling Point: 332.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000274 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)n(nc2)C
(2)InChI: InChI=1/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
(3)InChIKey: TUWHJYXETJCCPJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
(5)Std. InChIKey: TUWHJYXETJCCPJ-UHFFFAOYSA-N

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