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CAS No.: | 913835-57-1 |
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Name: | 3-N-(2-HYDROXYETHYLSULPHAMOYL)BENZENEBORONIC ACID 98 |
Molecular Structure: | |
Formula: | C8H12BNO5S |
Molecular Weight: | 245.064 |
Synonyms: | Boronicacid, [3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]- (9CI); |
Density: | 1.48g/cm3 |
Melting Point: | 228-230 °C |
Boiling Point: | 528.9 °C at 760 mmHg |
Flash Point: | 273.7 °C |
Hazard Symbols: | Xi |
PSA: | 115.24000 |
LogP: | -0.89130 |
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The Boronicacid, B-[3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]-, with CAS registry number 913835-57-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-(2-hydroxyethylsulfamoyl)phenyl]boronic acid. And the chemical formula of this chemical is C8H12BNO5S.
Physical properties of Boronicacid, B-[3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 115.24 Å2; (6)Index of Refraction: 1.602; (7)Molar Refractivity: 56.55 cm3; (8)Molar Volume: 164.7 cm3; (9)Polarizability: 22.41×10-24cm3; (10)Surface Tension: 69 dyne/cm; (11)Density: 1.48 g/cm3; (12)Flash Point: 273.7 °C; (13)Enthalpy of Vaporization: 84.62 kJ/mol; (14)Boiling Point: 528.9 °C at 760 mmHg; (15)Vapour Pressure: 5.13E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)NCCO)(O)O
(2)InChI: InChI=1/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2
(3)InChIKey: HSOUGLHWSPWPOM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2
(5)Std. InChIKey: HSOUGLHWSPWPOM-UHFFFAOYSA-N