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CAS No.: | 124589-98-6 |
---|---|
Name: | 2-bromo-3-(ethylsulfonyl)-pyridine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H8BrNO2S |
Molecular Weight: | 250.116 |
Synonyms: | 2-Bromo-3-(ethylsulfonyl)pyridine; |
Density: | 1.591 g/cm3 |
Boiling Point: | 405.4 °C at 760 mmHg |
Flash Point: | 199 °C |
PSA: | 55.41000 |
LogP: | 2.71850 |
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The Pyridine, 2-bromo-3-(ethylsulfonyl)- has CAS registry number 124589-98-6. This chemical's molecular formula is C7H8BrNO2S and molecular weight is 250.11. What's more, its systematic name is 2-Bromo-3-(ethylsulfonyl)pyridine.
Physical properties about Pyridine, 2-bromo-3-(ethylsulfonyl)- are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.11; (8)ACD/KOC (pH 7.4): 27.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 50.34 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 19.95×10-24 cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 199 °C; (20)Enthalpy of Vaporization: 63.14 kJ/mol; (21)Boiling Point: 405.4 °C at 760 mmHg; (22)Vapour Pressure: 2.06E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cccnc1Br)CC
(2) InChI: InChI=1/C7H8BrNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
(3) InChIKey: ADGBTPTWNFPAJW-UHFFFAOYAI