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212386-71-5

Basic Information
CAS No.: 212386-71-5
Name: 2,3-Difluoro-4-ethoxybenzeneboronic acid
Molecular Structure:
Molecular Structure of 212386-71-5 (2,3-Difluoro-4-ethoxybenzeneboronic acid)
Formula: C8H9BF2O3
Molecular Weight: 201.96
Synonyms: Boronicacid, (4-ethoxy-2,3-difluorophenyl)- (9CI);
EINECS:
Density: 1.299 g/cm3
Melting Point: 151-154 °C
Boiling Point: 315.98 °C at 760 mmHg
Flash Point: 144.9 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes:
Safety:
Transport Information:
PSA: 49.69000
LogP: 0.04330
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Specification

The Boronicacid, B-(4-ethoxy-2,3-difluorophenyl)-, with CAS registry number 212386-71-5, belongs to the following product categories: (1)Ethoxy; (2)Blocks; (3)Boronic Acids; (4)Bromides. It has the systematic name of (4-ethoxy-2,3-difluorophenyl)boronic acid. Besides this, it is also called 2,3-Difluoro-4-ethoxybenzeneboronic acid. And the chemical formula of this chemical is C8H9BF2O3.

Physical properties of Boronicacid, B-(4-ethoxy-2,3-difluorophenyl)-: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 308; (8)ACD/KOC (pH 7.4): 206; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 155.526 cm3; (16)Polarizability: 17.645×10-24cm3; (17)Surface Tension: 37.59 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 144.9 °C; (20)Enthalpy of Vaporization: 58.835 kJ/mol; (21)Boiling Point: 315.98 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(c(F)c1F)B(O)O
(2)InChI: InChI=1/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4,12-13H,2H2,1H3
(3)InChIKey: OBKSFBWOZSQGGC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4,12-13H,2H2,1H3
(5)Std. InChIKey: OBKSFBWOZSQGGC-UHFFFAOYSA-N