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13436-55-0

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Basic Information
CAS No.: 13436-55-0
Name: 1-ACETYL-5-NITROINDAZOLE
Molecular Structure:
Molecular Structure of 13436-55-0 (1-ACETYL-5-NITROINDAZOLE)
Formula: C9H7N3O3
Molecular Weight: 205.173
Synonyms: 1H-Indazole,1-acetyl-5-nitro- (6CI,7CI,8CI,9CI);1-(5-Nitroindazol-1-yl)ethanone;1-(5-Nitro-1H-indazol-1-yl)ethanone;1-Acetyl-5-nitro-1H-indazole;
Density: 1.489 g/cm3
Boiling Point: 403.725 °C at 760 mmHg
Flash Point: 197.966 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 80.71000
LogP: 2.12780
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Specification

The Ethanone,1-(5-nitro-1H-indazol-1-yl)-, with the CAS registry number 13436-55-0, is also known as 1-Acetyl-5-nitro-1H-indazole. It belongs to the product categories of Azoles; Blocks; Indoles Oxindoles. This chemical's molecular formula is C9H7N3O3 and molecular weight is 205.17. What's more, its systematic name is 1-(5-nitro-1H-indazol-1-yl)ethanone.

Physical properties of Ethanone,1-(5-nitro-1H-indazol-1-yl)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 80.71 Å2; (7)Index of Refraction: 1.683; (8)Molar Refractivity: 52.258 cm3; (9)Molar Volume: 137.752 cm3; (10)Polarizability: 20.717×10-24cm3; (11)Surface Tension: 64.075 dyne/cm; (12)Density: 1.489 g/cm3; (13)Flash Point: 197.966 °C; (14)Enthalpy of Vaporization: 65.506 kJ/mol; (15)Boiling Point: 403.725 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2cnn(c2cc1)C(C)=O
(2)InChI: InChI=1S/C9H7N3O3/c1-6(13)11-9-3-2-8(12(14)15)4-7(9)5-10-11/h2-5H,1H3
(3)InChIKey: JWCNYGFAYNMHPZ-UHFFFAOYSA-N