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CAS No.: | 957120-65-9 |
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Name: | 1-(2-Bromophenylsulfonyl)-1H-pyrazole |
Molecular Structure: | |
Formula: | C9H7BrN2O2S |
Molecular Weight: | 287.1 |
Synonyms: | 1-(2-Bromophenylsulfonyl)-1H-pyrazole |
Density: | 1.7 g/cm3 |
Boiling Point: | 437 °C at 760 mmHg |
Flash Point: | 218.1 °C |
PSA: | 60.34000 |
LogP: | 2.96340 |
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The 1-(2-Bromophenylsulfonyl)-1H-pyrazole has the CAS registry number 957120-65-9. It belongs to the product categories of Classes of Azoles; Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C9H7BrN2O2S and molecular weight is 287.1. What's more, its systematic name is 1-(2-Bromophenyl)sulfonylpyrazole.
Physical properties of 1-(2-Bromophenylsulfonyl)-1H-pyrazole are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 60.34 Å2; (9)Index of Refraction: 1.672; (10)Molar Refractivity: 63.24 cm3; (11)Molar Volume: 168.8 cm3; (12)Polarizability: 25.07×10-24 cm3; (13)Surface Tension: 60.4 dyne/cm; (14)Density: 1.7 g/cm3; (15)Flash Point: 218.1 °C; (16)Enthalpy of Vaporization: 69.36 kJ/mol; (17)Boiling Point: 437 °C at 760 mmHg; (18)Vapour Pressure: 7.72E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)S(=O)(=O)n2cccn2)Br
(2)InChI: InChI=1S/C9H7BrN2O2S/c10-8-4-1-2-5-9(8)15(13,14)12-7-3-6-11-12/h1-7H
(3)InChIKey: QATUVNJTMAQYOC-UHFFFAOYSA-N