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131427-21-9

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Basic Information
CAS No.: 131427-21-9
Name: 1-BENZYL-3-HYDROXYMETHYL-1H-INDAZOLE
Article Data: 7
Molecular Structure:
Molecular Structure of 131427-21-9 (1-BENZYL-3-HYDROXYMETHYL-1H-INDAZOLE)
Formula: C15H14N2O
Molecular Weight: 238.289
Synonyms: 1-Benzyl-3-hydroxymethylindazole;
Density: 1.183 g/cm3
Boiling Point: 450.624 °C at 760 mmHg
Flash Point: 226.33 °C
PSA: 38.05000
LogP: 2.57690
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Specification

The 1H-Indazole-3-methanol,1-(phenylmethyl)-, with the CAS registry number 131427-21-9, belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C15H14N2O and molecular weight is 238.2845. Its systematic name is called (1-benzyl-1H-indazol-3-yl)methanol.

Physical properties of 1H-Indazole-3-methanol,1-(phenylmethyl)-: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 43; (5)ACD/BCF (pH 7.4): 43; (6)ACD/KOC (pH 5.5): 514; (7)ACD/KOC (pH 7.4): 514; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 71.889 cm3; (13)Molar Volume: 201.34 cm3; (14)Surface Tension: 47.531 dyne/cm; (15)Density: 1.183 g/cm3; (16)Flash Point: 226.33 °C; (17)Enthalpy of Vaporization: 74.771 kJ/mol; (18)Boiling Point: 450.624 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccccc1n2Cc3ccccc3)CO
(2)InChI: InChI=1/C15H14N2O/c18-11-14-13-8-4-5-9-15(13)17(16-14)10-12-6-2-1-3-7-12/h1-9,18H,10-11H2
(3)InChIKey: AKQDXNFPEFHRLS-UHFFFAOYAU