CAS No.279262-09-8,3-Fluoro-4-morpholinophenylboronic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	279262-09-8
Name:	3-Fluoro-4-morpholinophenylboronic Acid

Formula:	C₁₀H₁₃BFNO₃
Molecular Weight:	225.0245
Synonyms:	(3-fluoro-4-morpholino-phenyl)boronic acid;Boronic acid, B-[3-fluoro-4-(4-morpholinyl)phenyl]-;[3-Fluoro-4-(morpholin-4-yl)phenyl]boronic acid;
Density:	1.314 g/cm³
Boiling Point:	420.416 °C at 760 mmHg
Flash Point:	208.061 °C
PSA:	52.93000
LogP:	-0.59290

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Specification

The 3-Fluoro-4-morpholinophenylboronic acid, with the CAS registry number 279262-09-8, has the systematic name of (3-fluoro-4-morpholino-phenyl)boronic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₀H₁₃BFNO₃.

The physical properties of 3-Fluoro-4-morpholinophenylboronic acid are as following: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.138; (4)ACD/LogD (pH 7.4): 1.036; (5)ACD/BCF (pH 5.5): 4.281; (6)ACD/BCF (pH 7.4): 3.38; (7)ACD/KOC (pH 5.5): 97.603; (8)ACD/KOC (pH 7.4): 77.071; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.93 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 55.501 cm³; (15)Molar Volume: 171.29 cm³; (16)Polarizability: 22.002×10^-24cm³; (17)Surface Tension: 49.677 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 208.061 °C; (20)Enthalpy of Vaporization: 71.086 kJ/mol; (21)Boiling Point: 420.416 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)F)N2CCOCC2)(O)O
(2)InChI: InChI=1/C10H13BFNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2
(3)InChIKey: JCGKJBDGVMLWBG-UHFFFAOYAW