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13436-58-3

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Basic Information
CAS No.: 13436-58-3
Name: 2-methyl-7-nitro-2H-indazole
Article Data: 12
Molecular Structure:
Molecular Structure of 13436-58-3 (2-methyl-7-nitro-2H-indazole)
Formula: C8H7N3O2
Molecular Weight: 177.1601
Synonyms: 2-Methyl-7-nitroindazole;
Density: 1.42g/cm3
Boiling Point: 364.5 °C at 760 mmHg
Flash Point: 174.2 °C
PSA: 63.64000
LogP: 2.00470
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Specification

The 2H-Indazole,2-methyl-7-nitro-, with CAS registry number 13436-58-3, has the systematic name of 2-methyl-7-nitro-2H-indazole. Besides this, it is also called 7-Nitro-2-methylindazole. Its classification code is Mutation data. And the chemical formula of this chemical is C8H7N3O2.

Physical properties of 2H-Indazole,2-methyl-7-nitro-: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 63.64 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 46.79 cm3; (9)Molar Volume: 124.2 cm3; (10)Polarizability: 18.55×10-24cm3; (11)Surface Tension: 59.6 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 174.2 °C; (14)Enthalpy of Vaporization: 58.67 kJ/mol; (15)Boiling Point: 364.5 °C at 760 mmHg; (16)Vapour Pressure: 3.51E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cccc1c2nn(c1)C
(2)InChI: InChI=1/C8H7N3O2/c1-10-5-6-3-2-4-7(11(12)13)8(6)9-10/h2-5H,1H3
(3)InChIKey: IFVSROJIKNMTNX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7N3O2/c1-10-5-6-3-2-4-7(11(12)13)8(6)9-10/h2-5H,1H3
(5)Std. InChIKey: IFVSROJIKNMTNX-UHFFFAOYSA-N