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CAS No.: | 871329-74-7 |
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Name: | 2-METHYL-5-(N-MORPHOLINYLSULFONYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C11H16BNO5S |
Molecular Weight: | 285.129 |
Synonyms: | Boronicacid, [2-methyl-5-(4-morpholinylsulfonyl)phenyl]- (9CI);(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid;[2-Methyl-5-[(4-morpholinyl)sulfonyl]phenyl]boronic acid; |
Density: | 1.41 g/cm3 |
Melting Point: | 136-140 °C |
Boiling Point: | 522.3 °C at 760 mmHg |
Flash Point: | 269.7 °C |
Hazard Symbols: | Xi |
PSA: | 95.45000 |
LogP: | -0.28560 |
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The Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]- is an organic compound with the formula C11H16BNO5S. The systematic name of this chemical is (2-methyl-5-morpholinosulfonyl-phenyl)boronic acid. With the CAS registry number 871329-74-7, it is also named as 2-Methyl-5-(N-morpholinylsulphonamido)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.
Physical properties about Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]- are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.71; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 95.45 Å2; (8)Index of Refraction: 1.597; (9)Molar Refractivity: 68.83 cm3; (10)Molar Volume: 201.9 cm3; (11)Polarizability: 27.28×10-24cm3; (12)Surface Tension: 61.3 dyne/cm; (13)Density: 1.41 g/cm3; (14)Flash Point: 269.7 °C; (15)Enthalpy of Vaporization: 83.76 kJ/mol; (16)Boiling Point: 522.3 °C at 760 mmHg; (17)Vapour Pressure: 9.79E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)S(=O)(=O)N2CCOCC2)(O)O
(2)InChI: InChI=1/C11H16BNO5S/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(3)InChIKey: IGDNJOSXZREONA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H16BNO5S/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(5)Std. InChIKey: IGDNJOSXZREONA-UHFFFAOYSA-N