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194470-10-5

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Basic Information
CAS No.: 194470-10-5
Name: 9-FLUORENONE-1-BORONIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 194470-10-5 (9-FLUORENONE-1-BORONIC ACID)
Formula: C13H9BO3
Molecular Weight: 224.024
Synonyms: 9-Fluorenone-1-boronicacid;
Density: 1.39 g/cm3
Boiling Point: 489.8 °C at 760 mmHg
Flash Point: 250.1 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 57.53000
LogP: 0.57780
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Specification

The Boronic acid,(9-oxo-9H-fluoren-1-yl)- (9CI), with the CAS registry number 194470-10-5, is also known as 9-Fluorenone-1-boronicacid. This chemical's molecular formula is C13H9BO3 and molecular weight is 224.02. What's more, its systematic name is (9-Oxo-9H-fluoren-1-yl)boronic acid. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,(9-oxo-9H-fluoren-1-yl)- (9CI): (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 102.6; (6)ACD/BCF (pH 7.4): 79.83; (7)ACD/KOC (pH 5.5): 956.61; (8)ACD/KOC (pH 7.4): 744.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 60.68 cm3; (15)Molar Volume: 160.8 cm3; (16)Surface Tension: 64.5 dyne/cm; (17)Density: 1.39 g/cm3; (18)Flash Point: 250.1 °C; (19)Enthalpy of Vaporization: 79.65 kJ/mol ; (20)Boiling Point: 489.8 °C at 760 mmHg; (21)Vapour Pressure: 2.07E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3c1ccccc1c2c3c(B(O)O)ccc2
(2) InChI: InChI=1/C13H9BO3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7,16-17H
(3) InChIKey: HSOKHBOOTOGTGD-UHFFFAOYAT