1H-Indazole-3-carboxaldehyde,5-bromo- (201227-38-5)

This chemical is called 5-Bromo-1H-indazole-3-carbaldehyde, and it can also be named as 1H-indazole-3-carboxaldehyde, 5-bromo-. With the CAS registry number of 201227-38-5, its product category is Indazole. In addition, the molecular formula of this chemical is C₈H₅BrN₂O, and its molecular weight is 225.04.

Other characteristics of the 5-Bromo-1H-indazole-3-carbaldehyde can be summarised as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.444; (4)ACD/LogD (pH 7.4): 2.444; (5)ACD/BCF (pH 5.5): 42.414; (6)ACD/BCF (pH 7.4): 42.397; (7)ACD/KOC (pH 5.5): 508.845; (8)ACD/KOC (pH 7.4): 508.639; (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: 1.769; (14)Molar Refractivity: 51.063 cm³; (15)Molar Volume: 122.946 cm³; (16)Polarizability: 20.243×10^-24cm³; (17)Surface Tension: 73.848 dyne/cm; (18)Density: 1.83 g/cm³; (19)Flash Point: 204.216 °C; (20)Enthalpy of Vaporization: 66.693 kJ/mol; (21)Boiling Point: 414.059 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc2c(cc1Br)c(n[nH]2)C=O
(2)InChI: InChI=1/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
(3)InChIKey: ILGTYHMEQSSHFG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
(5)Std. InChIKey: ILGTYHMEQSSHFG-UHFFFAOYSA-N