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CAS No.: | 855230-61-4 |
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Name: | 3-ETHOXY-2-FLUOROPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C8H10BFO3 |
Molecular Weight: | 183.9726 |
Synonyms: | Boronicacid, (3-ethoxy-2-fluorophenyl)- (9CI);3-Ethoxy-2-fluorophenylboronic acid; |
Density: | 1.22 g/cm3 |
Melting Point: | 78-83 ºC |
Boiling Point: | 335.9 °C at 760 mmHg |
Flash Point: | 157 °C |
PSA: | 49.69000 |
LogP: | -0.09580 |
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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