Basic Information | Post buying leads | Suppliers |
Name |
Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI) |
EINECS | N/A |
CAS No. | 259209-24-0 | Density | 1.42 g/cm3 |
PSA | 60.69000 | LogP | -0.78890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6BFO3 | Boiling Point | 308.7 °C at 760 mmHg |
Molecular Weight | 155.921 | Flash Point | 140.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Fluoro-2-hydroxybenzeneboronic acid; |
The Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI), with the CAS registry number 259209-24-0, is also known as 3-Fluoro-2-hydroxybenzeneboronic acid. It belongs to the product categories of Halide; Aryl; Boronic Acid; Organoborons. This chemical's molecular formula is C6H6BFO3 and molecular weight is 155.9194. What's more, its systematic name is (3-Fluoro-2-hydroxyphenyl)boronic acid.
Physical properties about Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI) are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 91.7; (8)ACD/KOC (pH 7.4): 59.1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.69 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 34.92 cm3; (15)Molar Volume: 109.1 cm3; (16)Polarizability: 13.84×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18) Density: 1.42 g/cm3; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 58.01 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00029 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(B(O)O)c1O
(2) InChI: InChI=1/C6H6BFO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9-11H
(3) InChIKey: UOYUUFBFEICSRZ-UHFFFAOYAW