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| CAS No.: | 256228-64-5 |
|---|---|
| Name: | 1H-Indazole-7-carbonitrile |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H5N3 |
| Molecular Weight: | 143.148 |
| Synonyms: | Indazole-7-carbonitrile; |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 370.3 °C at 760 mmHg |
| Flash Point: | 126.7 °C |
| PSA: | 52.47000 |
| LogP: | 1.43458 |
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Specification
The 1H-Indazole-7-carbonitrile, with the CAS registry number 256228-64-5, is also known as 7-Cyano-1H-indazole. This chemical's molecular formula is C8H5N3 and molecular weight is 143.148. What's more, its systematic name is 1H-Indazole-7-carbonitrile.
Physical properties about 1H-Indazole-7-carbonitrile are: (1)ACD/LogP: 1.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.98; (8)ACD/KOC (pH 7.4): 114.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.47 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 40.6 cm3; (15)Molar Volume: 106.8 cm3; (16)Polarizability: 16.09×10-24cm3; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2cn[nH]c2c(c1)C#N
(2) InChI: InChI=1/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
(3) InChIKey: QXSXSDGUHOPEDJ-UHFFFAOYAG