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CAS No.: | 89939-16-2 |
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Name: | 2H-Indazole-3-carboxaldehyde (7CI) |
Molecular Structure: | |
Formula: | C8H6N2O |
Molecular Weight: | 146.15 |
Synonyms: | 2H-Indazole-3-carboxaldehyde (7CI); |
Density: | 1.369 g/cm3 |
Boiling Point: | 193.585 °C at 760 mmHg |
Flash Point: | 71.519 °C |
PSA: | 45.75000 |
LogP: | 1.37540 |
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2H-Indazole-3-carbaldehyde, with the CAS registry number 89939-16-2, is also named as 2H-Indazole-3-carboxaldehyde. This chemical's molecular formula is C8H6N2O and molecular weight is 146.15. What's more, its systematic name is 2H-Indazole-3-carbaldehyde.
Physical properties of 2H-Indazole-3-carbaldehyde are: (1)ACD/LogP: 1.111; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 95.80; (8)ACD/KOC (pH 7.4): 95.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.373 cm3; (15)Molar Volume: 106.761 cm3; (16)Polarizability: 17.194×10-24cm3; (17)Surface Tension: 71.01 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 71.519 °C; (20)Enthalpy of Vaporization: 42.978 kJ/mol; (21)Boiling Point: 193.585 °C at 760 mmHg; (22)Vapour Pressure: 0.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c2ccccc2nn1
(2)Std. InChI: InChI=1S/C8H6N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,9,10)
(3)Std. InChIKey: VXOSGHMXAYBBBB-UHFFFAOYSA-N