1H-Indazole-6-carbaldehyde

The IUPAC name of 1H-Indazole-6-carbaldehyde is 1H-indazole-6-carbaldehyde. With the CAS registry number 669050-69-5, it is also named as 6-Formyl-1H-indazole. The product's categories are Aldehyde; Building Blocks; Indazole. In addition, its molecular formula is C₈H₅N₂O and its molecular weight is 145.14.

The other characteristics of 1H-Indazole-6-carbaldehyde can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.17; (6)ACD/BCF (pH 7.4): 5.17; (7)ACD/KOC (pH 5.5): 112.84; (8)ACD/KOC (pH 7.4): 112.84; (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: 43.37 cm³; (15)Molar Volume: 106.7 cm³; (16)Polarizability: 17.19×10^-24cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 174.4 °C; (20)Melting Point: 181-185 °C; (21)Enthalpy of Vaporization: 60.38 kJ/mol; (22)Boiling Point: 358.3 °C at 760 mmHg; (23)Vapour Pressure: 2.56E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc1ccc2cnnc2c1
(2)InChI: InChI=1/C8H6N2O/c11-5-6-1-2-7-4-9-10-8(7)3-6/h1-5H,(H,9,10)
(3)InChIKey: JTWYTTXTJFDYAG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6N2O/c11-5-6-1-2-7-4-9-10-8(7)3-6/h1-5H,(H,9,10)
(5)Std. InChIKey: JTWYTTXTJFDYAG-UHFFFAOYSA-N