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1H-Indazole,3-bromo-4-nitro-

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Name

1H-Indazole,3-bromo-4-nitro-

EINECS
CAS No. 74209-17-9 Density 1.965 g/cm3
Solubility Melting Point
Formula C7H4BrN3O2 Boiling Point 248.9 °C at 760 mmHg
Molecular Weight 242.03 Flash Point 104.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 74209-17-9 (1H-Indazole,3-bromo-4-nitro-) Hazard Symbols
Synonyms

Indazole,3-bromo-4-nitro- (3CI);3-Bromo-4-nitro-1H-indazole;

 

1H-Indazole,3-bromo-4-nitro- Specification

The 1H-Indazole,3-bromo-4-nitro-, with the CAS registry number 74209-17-9, is also known as Indazole,3-bromo-4-nitro- (3CI). This chemical's molecular formula is C7H4BrN3O2 and molecular weight is 242.03. What's more, its systematic name is 3-bromo-4-nitro-2H-indazole. 

Physical properties of 1H-Indazole,3-bromo-4-nitro- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.23; (6)ACD/BCF (pH 7.4): 27.04; (7)ACD/KOC (pH 5.5): 370.56; (8)ACD/KOC (pH 7.4): 367.87; (9)#H bond acceptors: 5  #H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64 Å2; (12)Index of Refraction: 1.763; (13)Molar Refractivity: 50.85 cm3; (14)Molar Volume: 123.1 cm3; (15)Polarizability: 20.16 ×10-24 cm3; (16)Surface Tension: 82.2 dyne/cm; (17)Density: 1.965 g/cm3; (18)Flash Point: 104.3 °C; (19)Enthalpy of Vaporization: 48.61 kJ/mol; (20)Boiling Point: 248.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0236 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [O-][N+](=O)c1cccc2nnc(Br)c12
(2)InChI: InChI=1/C7H4BrN3O2/c8-7-6-4(9-10-7)2-1-3-5(6)11(12)13/h1-3H,(H,9,10)
(3)InChIKey: BKYFEBHLYKLAJH-UHFFFAOYAH

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