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| CAS No.: | 886853-93-6 |
|---|---|
| Name: | 2-Methoxyquinoline-3-boronic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H10BNO3 |
| Molecular Weight: | 203.005 |
| Synonyms: | Boronicacid, (2-methoxy-3-quinolinyl)- (9CI); |
| Density: | 1.29 g/cm3 |
| Melting Point: | 254 °C |
| Boiling Point: | 414.2 °C at 760 mmHg |
| Flash Point: | 204.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 62.58000 |
| LogP: | -0.07680 |
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- Total:26 Page 1 of 1 1
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Specification
The Boronic acid,B-(2-methoxy-3-quinolinyl)-, with its CAS registry number 886853-93-6, has its systematic name of (2-methoxyquinolin-3-yl)boronic acid. And this chemical has its molecular formula of C10H10BNO3. Then it belongs to the product categories of Blocks; BoronicAcids; Quinolines. Besides, it may cause inflammation to the skin or other mucous membranes, so you should be careful while using it.
Physical properties of Boronic acid,B-(2-methoxy-3-quinolinyl)-: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 14.61; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 226.92; (8)ACD/KOC (pH 7.4): 18.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 55 cm3; (15)Molar Volume: 156.4 cm3; (16)Polarizability: 21.8×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 70.34 kJ/mol; (21)Boiling Point: 414.2 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OB(O)c1cc2ccccc2nc1OC
(2)Std. InChI:InChI=1S/C10H10BNO3/c1-15-10-8(11(13)14)6-7-4-2-3-5-9(7)12-10/h2-6,13-14H,1H3
(3)Std. InChIKey:WLOYLJRUEIVOJC-UHFFFAOYSA-N