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CAS No.: | 40278-32-8 |
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Name: | (1,3-DIPHENYL-1H-PYRAZOL-4-YL)-METHANOL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C16H14N2O |
Molecular Weight: | 250.3 |
Synonyms: | 1,3-Diphenyl-4-(hydroxymethyl)pyrazole |
Density: | 1.15 g/cm3 |
Boiling Point: | 460.1 °C at 760 mmHg |
Flash Point: | 232 °C |
PSA: | 38.05000 |
LogP: | 3.03160 |
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The 1H-Pyrazole-4-methanol,1,3-diphenyl- has CAS registry number 40278-32-8. This chemical's molecular formula is C16H14N2O and molecular weight is 250.30. What's more, its systematic name is (1,3-diphenyl-1H-pyrazol-4-yl)methanol.
Physical properties of 1H-Pyrazole-4-methanol,1,3-diphenyl- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 27.05 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 76.49 cm3; (9)Molar Volume: 217.4 cm3; (10)Polarizability: 30.32×10-24cm3; (11)Surface Tension: 46.3 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 232 °C; (14)Enthalpy of Vaporization: 75.94 kJ/mol; (15)Boiling Point: 460.1 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(cn1c2ccccc2)CO)c3ccccc3
(2)Std. InChI: InChI=1S/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2
(3)Std. InChIKey: RTJRIXAAKFEPLD-UHFFFAOYSA-N