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| CAS No.: | 68826-34-6 |
|---|---|
| Name: | 1-methyl-5-(2-nitrophenyl)-1H-Tetrazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7N5O2 |
| Molecular Weight: | 205.1735 |
| Synonyms: | 1-Methyl-5-(2-nitrophenyl)-1H-tetrazole; |
| Density: | 1.533 g/cm3 |
| Boiling Point: | 410.965 °C at 760 mmHg |
| Flash Point: | 202.345 °C |
| PSA: | 89.42000 |
| LogP: | 1.30850 |
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- Total:3 Page 1 of 1 1
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Specification
The CAS registry number of 1H-Tetrazole,1-methyl-5-(2-nitrophenyl)- is 68826-34-6. This chemical's molecular formula is C8H7N5O2 and molecular weight is 205.1735. What's more, its systematic name is called 1-Methyl-5-(2-nitrophenyl)-1H-tetrazole.
Physical properties about 1H-Tetrazole,1-methyl-5-(2-nitrophenyl)- are: (1)ACD/LogP: 1.51; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 73; (8)CD/KOC (pH 7.4): 73; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.42 Å2; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 52.906 cm3; (15)Molar Volume: 133.804 cm3; (16)Polarizability: 20.974×10-24 cm3; (17)Surface Tension: 68.53 dyne/cm; (18)Density: 1.533 g/cm3; (19)Flash Point: 202.345 °C; (20)Enthalpy of Vaporization: 66.337 kJ/mol; (21)Boiling Point: 410.965 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cn2nnnc2c1ccccc1[N+]([O-])=O
(2) InChI: InChI=1/C8H7N5O2/c1-12-8(9-10-11-12)6-4-2-3-5-7(6)13(14)15/h2-5H,1H3
(3) InChIKey: FZEAAHCCZOZKRV-UHFFFAOYAG