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Boronic acid,B-(3-ethoxy-2-fluorophenyl)-

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Name

Boronic acid,B-(3-ethoxy-2-fluorophenyl)-

EINECS N/A
CAS No. 855230-61-4 Density 1.22 g/cm3
PSA 49.69000 LogP -0.09580
Solubility N/A Melting Point 78-83 ºC
Formula C8H10BFO3 Boiling Point 335.9 °C at 760 mmHg
Molecular Weight 183.9726 Flash Point 157 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 855230-61-4 (3-ETHOXY-2-FLUOROPHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, (3-ethoxy-2-fluorophenyl)- (9CI);3-Ethoxy-2-fluorophenylboronic acid;

 

Boronic acid,B-(3-ethoxy-2-fluorophenyl)- Specification

The Boronic acid,B-(3-ethoxy-2-fluorophenyl)-, with the CAS registry number 855230-61-4, is also known as 3-Ethoxy-2-fluorophenylboronic acid. It belongs to the product categories of Blocks; Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C8H10BFO3 and molecular weight is 183.9726. What's more, its systematic name is (3-Ethoxy-2-fluorophenyl)boronic acid . 

Physical properties about this Boronic acid,B-(3-ethoxy-2-fluorophenyl)-: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 20.75; (6)ACD/BCF (pH 7.4): 16.15; (7)ACD/KOC (pH 5.5): 304.74; (8)ACD/KOC (pH 7.4): 237.12; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 44.39 cm3; (15)Molar Volume: 150.7 cm3; (16)Polarizability: 17.6×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 157 °C; (20)Enthalpy of Vaporization: 61.12 kJ/mol; (21)Boiling Point: 335.9 °C at 760 mmHg; (22)Vapour Pressure: 4.55E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1OCC)B(O)O
(2) InChI: InChI=1/C8H10BFO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,11-12H,2H2,1H3
(3) InChIKey: DCUXBPVUKGENEJ-UHFFFAOYAG

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