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| CAS No.: | 762287-59-2 |
|---|---|
| Name: | Boronic acid, (3-fluoro-2-methoxyphenyl)- (9CI) |
| Molecular Structure: | |
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| Formula: | C7H8BFO3 |
| Molecular Weight: | 169.948 |
| Synonyms: | Boronicacid, (3-fluoro-2-methoxyphenyl)- (9CI);2-Methoxy-3-fluorobenzeneboronic acid;3-Fluoro-2-methoxyphenylboronic acid;[3-Fluoro-2-(methyloxy)phenyl]boronicacid;(3-Fluoro-2-methoxyphenyl)boronic acid;boronic acid, B-(3-fluoro-2-methoxyphenyl)-;3-Fluoro-2-methoxybenzeneboronic acid;3-Fluoro-2-methoxyphenylboronic acid;3-Fluoro-2-methoxyphenylboronicacid; |
| Density: | 1.265 g/cm3 |
| Boiling Point: | 330.713 °C at 760 mmHg |
| Flash Point: | 153.81 °C |
| PSA: | 49.69000 |
| LogP: | -0.48590 |
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Specification
The Boronic acid,B-(3-fluoro-2-methoxyphenyl)-, with the CAS registry number 762287-59-2, has the systematic nane of (3-fluoro-2-methoxyphenyl)boronic acid. It belongs to the following product categories: Methoxy; Blocks; Boronic Acids; Fluoro Compounds; Aryl; Fluorinated; Organoborons. And the molecular formula of the chemical is C7H8BFO3.
The characteristics of Boronic acid,B-(3-fluoro-2-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 156; (8)ACD/KOC (pH 7.4): 89; (9)#H bond acceptors: 3; (10)H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 39.766 cm3; (15)Molar Volume: 134.359 cm3; (16)Polarizability: 15.764×10-24cm3; (17)Surface Tension: 39.896 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 153.81 °C; (20)Enthalpy of Vaporization: 60.517 kJ/mol; (21)Boiling Point: 330.713 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(B(O)O)c1OC
(2)InChI: InChI=1/C7H8BFO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,10-11H,1H3
(3)InChIKey: ABTBKKHOMBEJGL-UHFFFAOYAU