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2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid

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Name

2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid

EINECS N/A
CAS No. 874289-42-6 Density 1.32 g/cm3
PSA 60.77000 LogP -0.32060
Solubility N/A Melting Point 146-148
Formula C11H13BFNO3 Boiling Point 471.4 °C at 760 mmHg
Molecular Weight 237.04 Flash Point 238.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874289-42-6 (2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid) Hazard Symbols
Synonyms

2-Fluoro-5-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid 98 %;

 

2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid Specification

The 2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid, with the CAS registry number of 874289-42-6, is also known as 2-Fluoro-5-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid 98 %. It belongs to the product categories of blocks; BoronicAcids. This chemical's molecular formula is C11H13BFNO3 and molecular weight is 237.04. What's more, its systematic name is [2-Fluoro-5-(pyrrolidine-1-carbonyl)phenyl]boronic acid. Besides, it must be stored in a cool place.

Physical properties about the 2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.24; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.77Å2; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 58.5 cm3; (11)Molar Volume: 178.4 cm3; (12)Surface Tension: 52.2 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 238.9 °C; (15)Enthalpy of Vaporization: 77.34 kJ/mol; (16)Boiling Point: 471.4 °C at 760 mmHg; (17)Vapour Pressure: 1.09E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(c1cc(B(O)O)c(F)cc1)N2CCCC2
(2) InChI:InChI=1/C11H13BFNO3/c13-10-4-3-8(7-9(10)12(16)17)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
(3) InChIKey:LUWFRPUCEBPJIZ-UHFFFAOYAV

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