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Name |
Boronic acid,B-(3-fluoro-2-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 762287-59-2 | Density | 1.265 g/cm3 |
PSA | 49.69000 | LogP | -0.48590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8BFO3 | Boiling Point | 330.713 °C at 760 mmHg |
Molecular Weight | 169.948 | Flash Point | 153.81 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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