Products Categories
CAS No.: | 72521-00-7 |
---|---|
Name: | 6-NITRO-5-METHYL (1H)INDAZOLE |
Molecular Structure: | |
Formula: | C8H7N3O2 |
Molecular Weight: | 177.16008 |
Synonyms: | 5-Methyl-6-nitro-1H-indazole;5-Methyl-6-nitroindazole;1H-indazole, 5-methyl-6-nitro-; |
Density: | 1.437 g/cm3 |
Boiling Point: | 379.7 °C at 760 mmHg |
Flash Point: | 183.4 °C |
PSA: | 74.50000 |
LogP: | 2.30270 |
What can I do for you?
Get Best Price
The 5-methyl-6-nitroindazole, with the CAS registry number 72521-00-7, has the systematic name of 5-methyl-6-nitro-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H7N3O2.
The characteristics of 5-methyl-6-nitroindazole are as followings: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.45; (6)ACD/BCF (pH 7.4): 48.44; (7)ACD/KOC (pH 5.5): 559.66; (8)ACD/KOC (pH 7.4): 559.59; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.5 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 47.99 cm3; (15)Molar Volume: 123.2 cm3; (16)Polarizability: 19.02×10-24cm3; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2nncc2cc1C
(2)InChI: InChI=1/C8H7N3O2/c1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
(3)InChIKey: AZWAXIMNWVYSMP-UHFFFAOYAG