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| CAS No.: | 312746-74-0 |
|---|---|
| Name: | 1H-Indazole-7-carboxamide(9CI) |
| Molecular Structure: | |
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| Formula: | C8H7N3O |
| Molecular Weight: | 161.163 |
| Synonyms: | 1H-Indazole-7-carboxamide(9CI);1H-Indazole-7-carboxamide |
| Density: | 1.416 g/cm3 |
| Boiling Point: | 483.5 °C at 760 mmHg |
| Flash Point: | 246.2 °C |
| PSA: | 71.77000 |
| LogP: | 1.36210 |
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Specification
With the CAS registry number 312746-74-0, the 1H-Indazole-7-carboxamide's molecular formula is C8H7N3O and molecular weight is 161.16. It belongs to the product category of Amine. What's more, its systematic name is called 1H-Indazole-7-carboxamide.
Physical properties about 1H-Indazole-7-carboxamide are: (1)ACD/LogP: 0.34; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 36.57; (8)ACD/KOC (pH 7.4): 36.57; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.77 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 45.55 cm3; (15)Molar Volume: 113.7 cm3; (16)Surface Tension: 79 dyne/cm; (17)Density: 1.416 g/cm3; (18)Flash Point: 246.2 °C; (19)Enthalpy of Vaporization: 74.86 kJ/mol; (20)Boiling Point: 483.5 °C at 760 mmHg; (21)Vapour Pressure: 1.67E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2cn[nH]c2c(c1)C(=O)N
(2) InChI: InChI=1/C8H7N3O/c9-8(12)6-3-1-2-5-4-10-11-7(5)6/h1-4H,(H2,9,12)(H,10,11)
(3) InChIKey: ZWZKHJQCLZIUIT-UHFFFAOYAK