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1072952-09-0

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Basic Information
CAS No.: 1072952-09-0
Name: 3-Carboxy-2-fluorophenylboronic acid
Molecular Structure:
Molecular Structure of 1072952-09-0 (3-Carboxy-2-fluorophenylboronic acid)
Formula: C7H6BFO4
Molecular Weight: 183.932
Synonyms: Benzoic acid, 3-borono-2-fluoro-;
Density: 1.49 g/cm3
Boiling Point: 423 °C at 760 mmHg
Flash Point: 209.6 °C
PSA: 77.76000
LogP: -0.79630
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Specification

The 3-Carboxy-2-fluorophenylboronic acid, with the CAS registry number 1072952-09-0, is also known as Benzoic acid, 3-borono-2-fluoro-. It belongs to the product categories of Boronic Acid; Aryl; Organoborons. This chemical's molecular formula is C7H6BFO4 and molecular weight is 183.9295. Its systematic name is called 3-(dihydroxyboranyl)-2-fluorobenzoic acid.

Physical properties of 3-Carboxy-2-fluorophenylboronic acid: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): -1.4; (3)ACD/LogD (pH 7.4): -1.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 39.67 cm3; (13)Molar Volume: 122.7 cm3; (14)Surface Tension: 58.5 dyne/cm; (15)Density: 1.49 g/cm3; (16)Flash Point: 209.6 °C; (17)Enthalpy of Vaporization: 71.39 kJ/mol; (18)Boiling Point: 423 °C at 760 mmHg; (19)Vapour Pressure: 6.57E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cccc1B(O)O)C(=O)O
(2)InChI: InChI=1/C7H6BFO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
(3)InChIKey: DLSFOCMCMFDBOG-UHFFFAOYAJ