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| Name |
Boronic acid,B-[3-(4-thiomorpholinylcarbonyl)phenyl]- |
EINECS | N/A |
| CAS No. | 850567-37-2 | Density | 1.33 g/cm3 |
| PSA | 86.07000 | LogP | -0.50670 |
| Solubility | N/A | Melting Point |
120-126 °C |
| Formula | C11H14BNO3S | Boiling Point | 523.4 °C at 760 mmHg |
| Molecular Weight | 251.11 | Flash Point | 270.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [3-(4-thiomorpholinylcarbonyl)phenyl]- (9CI);[3-(Thiomorpholine-4-carbonyl)phenyl]boronic acid;3-(Thiomorpholin-4-ylcarbonyl)benzeneboronic acid; |
Boronic acid,B-[3-(4-thiomorpholinylcarbonyl)phenyl]- Specification
The Boronic acid,B-[3-(4-thiomorpholinylcarbonyl)phenyl]-, with the CAS registry number 850567-37-2, is also known as 3-(Thiomorpholin-4-ylcarbonyl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C11H14BNO3S and molecular weight is 251.11. What's more, its systematic name is [3-(thiomorpholine-4-carbonyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[3-(4-thiomorpholinylcarbonyl)phenyl]- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.05; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 86.07 Å2; (9)Index of Refraction: 1.625; (10)Molar Refractivity: 66.4 cm3; (11)Molar Volume: 187.7 cm3; (12)Polarizability: 26.32×10-24cm3; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 270.4 °C; (16)Enthalpy of Vaporization: 83.91 kJ/mol; (17)Boiling Point: 523.4 °C at 760 mmHg; (18)Vapour Pressure: 8.77E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)N2CCSCC2)(O)O
(2)InChI: InChI=1S/C11H14BNO3S/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
(3)InChIKey: KBUOGQLZRICCMV-UHFFFAOYSA-N
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