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Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-

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Name

Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-

EINECS N/A
CAS No. 881402-22-8 Density 1.48 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H5BF4O3 Boiling Point 279.9 °C at 760 mmHg
Molecular Weight 223.92 Flash Point 123.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 881402-22-8 (2-FLUORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID) Hazard Symbols Xi,Xn
Synonyms

Boronicacid, [2-fluoro-5-(trifluoromethoxy)phenyl]- (9CI);[2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acid;

 

Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]- Specification

This chemical is called Boronic acid, B-[2-fluoro-5-(trifluoromethoxy)phenyl]-, and its systematic name is [2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acid. With the molecular formula of C7H5BF4O3, its molecular weight is 223.92. The CAS registry number of this chemical is 881402-22-8.

Other characteristics of the Boronic acid, B-[2-fluoro-5-(trifluoromethoxy)phenyl]- can be summarised as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 49.69 Å2; (9)Index of Refraction: 1.446; (10)Molar Refractivity: 40.13 cm3; (11)Molar Volume: 150.3 cm3; (12)Polarizability: 15.91×10-24cm3; (13)Surface Tension: 33.3 dyne/cm; (14)Density: 1.48 g/cm3; (15)Flash Point: 123.1 °C; (16)Enthalpy of Vaporization: 54.78 kJ/mol; (17)Boiling Point: 279.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00187 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: B(c1cc(ccc1F)OC(F)(F)F)(O)O
2.InChI: InChI=1/C7H5BF4O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
3.InChIKey: NGTLLTDDJHXHQE-UHFFFAOYAI

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