Products Categories
CAS No.: | 475275-69-5 |
---|---|
Name: | (5-CHLORO-2-METHOXYPYRIDIN-4-YL)BORONIC ACID |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H7BClNO3 |
Molecular Weight: | 187.39 |
Synonyms: | Boronic acid, (5-chloro-2-methoxy-4-pyridinyl)- (9CI); |
Density: | 1.403 g/cm3 |
Boiling Point: | 347.608 °C at 760 mmHg |
Flash Point: | 164.028 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 62.58000 |
LogP: | -0.57660 |
What can I do for you?
Get Best Price
This chemical is called (5-Chloro-2-methoxy-4-pyridinyl)boronic acid, and its CAS registry number is 475275-69-5. With the molecular formula of C6H7BClNO3, its molecular weight is 187.39. Additionally, its product category is Boronicacid.
Other characteristics of the (5-Chloro-2-methoxy-4-pyridinyl)boronic acid can be summarised as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 124; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.58 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 42.279 cm3; (15)Molar Volume: 133.589 cm3; (16)Polarizability: 16.761×10-24cm3; (17)Surface Tension: 54.525 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 164.028 °C; (20)Enthalpy of Vaporization: 62.465 kJ/mol; (21)Boiling Point: 347.608 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1cc(ncc1Cl)OC)(O)O
2.InChI: InChI=1/C6H7BClNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
3.InChIKey: ONFAPGPPGOLJST-UHFFFAOYAT