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Molecular Structure of 5-Methyl-1H-indazole (CAS NO.1776-37-0):
Molecular Formula: C8H8N2
Molecular Weight: 132.16 g/mol
IUPAC Name: 5-Methyl-1H-indazole
CAS No: 1776-37-0
Mol File: 1776-37-0.mol
Product Categories: Indazole
XLogP3: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Tautomer Count: 2
Topological Polar Surface Area: 28.7
Heavy Atom Count: 10
Complexity: 124
Index of Refraction: 1.667
Molar Refractivity: 41.445 cm3
Molar Volume: 111.371 cm3
Surface Tension: 54.431 dyne/cm
Density: 1.187 g/cm3
Flash Point: 133.318 °C
Enthalpy of Vaporization: 50.313 kJ/mol
Boiling Point: 285.136 °C at 760 mmHg
Vapour Pressure of 5-Methyl-1H-indazole (CAS NO.1776-37-0): 0.005 mmHg at 25 °C
Canonical SMILES: CC1=CC2=C(C=C1)NN=C2
InChI: InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)
5-Methyl-1H-indazole (CAS NO.1776-37-0), its synonyms are 5-Methyl indazole ; 1H-indazole, 5-methyl- .