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1H-Indazole-7-carboxaldehyde (312746-72-8)

Identification
Name:1H-Indazole-7-carboxaldehyde
Synonyms:1H-Indazole-7-carbaldehyde;
CAS:312746-72-8
Molecular Formula: C8H6N2O
Molecular Weight: 146.15
InChI: InChI=1/C8H6N2O/c11-5-7-3-1-2-6-4-9-10-8(6)7/h1-5H,(H,9,10)
Molecular Structure: (C8H6N2O) 1H-Indazole-7-carbaldehyde;
Properties
Density:1.369 g/cm3
Refractive index:1.747
Specification:

The 1H-Indazole-7-carboxaldehyde, with the CAS registry number 312746-72-8, has the IUPAC name of 1H-Indazole-7-carbaldehyde. It belongs to the following product categories: Aldehyde; Building Blocks; Indazole. And the molecular formula of the chemical is C8H6N2O.

The characteristics of 1H-Indazole-7-carboxaldehyde are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.046; (4)ACD/LogD (pH 7.4): 1.046; (5)ACD/BCF (pH 5.5): 3.67; (6)ACD/BCF (pH 7.4): 3.67; (7)ACD/KOC (pH 5.5): 88.271; (8)ACD/KOC (pH 7.4): 88.269; (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: 71.011 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 174.364 °C; (20)Enthalpy of Vaporization: 60.381 kJ/mol; (21)Boiling Point: 358.34 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2cn[nH]c2c(c1)C=O
(2)InChI: InChI=1/C8H6N2O/c11-5-7-3-1-2-6-4-9-10-8(6)7/h1-5H,(H,9,10)
(3)InChIKey: WSCAEUWXSVHQJM-UHFFFAOYAX

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