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| Name |
Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]- |
EINECS | N/A |
| CAS No. | 871333-02-7 | Density | 1.44 g/cm3 |
| PSA | 104.68000 | LogP | -0.58540 |
| Solubility | N/A | Melting Point |
270-276 °C |
| Formula | C11H16BNO6S | Boiling Point | 553.6 °C at 760 mmHg |
| Molecular Weight | 301.12 | Flash Point | 288.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [3-methoxy-5-(4-morpholinylsulfonyl)phenyl]- (9CI); |
Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]- Specification
The Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]- is an organic compound with the formula C11H16BNO6S. The systematic name of this chemical is (4-methoxy-3-morpholinosulfonyl-phenyl)boronic acid. With the CAS registry number 871333-02-7, it is also named as 4-Methoxy-3-(N-morpholinylsulfonyl)phenylboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.
Physical properties about Boronic acid,B-[3-methoxy-5-(4-morpholinylsulfonyl)phenyl]- are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 0.25; (4)#H bond acceptors: 7; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 104.68 Å2; (8)Index of Refraction: 1.593; (9)Molar Refractivity: 70.57 cm3; (10)Molar Volume: 208.1 cm3; (11)Polarizability: 27.97×10-24cm3; (12)Surface Tension: 62.7 dyne/cm; (13)Density: 1.44 g/cm3; (14)Flash Point: 288.6 °C; (15)Enthalpy of Vaporization: 87.8 kJ/mol; (16)Boiling Point: 553.6 °C at 760 mmHg; (17)Vapour Pressure: 4.34E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)S(=O)(=O)N2CCOCC2)OC)(O)O
(2)InChI: InChI=1/C11H16BNO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(3)InChIKey: MCYOYCLLZQYKDW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H16BNO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(5)Std. InChIKey: MCYOYCLLZQYKDW-UHFFFAOYSA-N
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