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CAS No.: | 213690-49-4 |
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Name: | 1-PHENYL-1H-5-(5'-BROMO-2'-HYDROXYPHENYL)PYRAZOLE |
Molecular Structure: | |
Formula: | C15H11BrN2O |
Molecular Weight: | 315.169 |
Synonyms: | 4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol;1-Phenyl-1H-5-(5'-bromo-2'-hydroxyphenyl)pyrazole; |
Density: | 1.47 g/cm3 |
Boiling Point: | 436.1 °C at 760 mmHg |
Flash Point: | 217.6 °C |
PSA: | 38.05000 |
LogP: | 4.00740 |
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The Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)-, with the CAS registry number 213690-49-4, is also known as 1-Phenyl-1H-5-(5'-bromo-2'-hydroxyphenyl)pyrazole. This chemical's molecular formula is C15H11BrN2O and molecular weight is 315.16. What's more, its systematic name is 4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol and it belongs to the product category of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines.
Physical properties of Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 840.48; (6)ACD/BCF (pH 7.4): 815.35; (7)ACD/KOC (pH 5.5): 4314.49; (8)ACD/KOC (pH 7.4): 4185.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 79.44 cm3; (15)Molar Volume: 213.9 cm3; (16)Polarizability: 31.49×10-24 cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 71.92 kJ/mol; (21)Boiling Point: 436.1 °C at 760 mmHg; (22)Vapour Pressure: 3.25E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cc(c2ccnn2c1ccccc1)c(O)cc3
(2)InChI: InChI=1/C15H11BrN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H
(3)InChIKey: HCGKUKCQPZDMJD-UHFFFAOYSA-N