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74209-37-3

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Basic Information
CAS No.: 74209-37-3
Name: 1H-INDAZOLE, 3-BROMO-1-METHYL-7-NITRO-
Article Data: 5
Molecular Structure:
Molecular Structure of 74209-37-3 (1H-INDAZOLE, 3-BROMO-1-METHYL-7-NITRO-)
Formula: C8H6BrN3O2
Molecular Weight: 256.059
Synonyms: 3-bromo-1-methyl-7-nitro-1H-indazole;3-bromo-1-methyl-7-nitro-1H-indazole;
Density: 1.87 g/cm3
Boiling Point: 388.286 °C at 760 mmHg
Flash Point: 188.629 °C
PSA: 63.64000
LogP: 2.76720
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Specification

The 1H-Indazole,3-bromo-1-methyl-7-nitro-, with the CAS registry number 74209-37-3, has the systematic name of 3-bromo-1-methyl-7-nitro-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 C8H6BrN3O2.

The physical properties of 1H-Indazole,3-bromo-1-methyl-7-nitro- are as following: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 35; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 443; (8)ACD/KOC (pH 7.4): 443; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.64 Å2; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 54.354 cm3; (15)Molar Volume: 136.907 cm3; (16)Polarizability: 21.548×10-24cm3; (17)Surface Tension: 65.178 dyne/cm; (18)Density: 1.87 g/cm3; (19)Flash Point: 188.629 °C; (20)Enthalpy of Vaporization: 61.255 kJ/mol; (21)Boiling Point: 388.286 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1n(C)nc2Br
(2)InChI: InChI=1/C8H6BrN3O2/c1-11-7-5(8(9)10-11)3-2-4-6(7)12(13)14/h2-4H,1H3
(3)InChIKey: HQCVNVOZRXFKNJ-UHFFFAOYAD