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2-Fluoro-3-methoxy-6-bromophenylboronic acid

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Name

2-Fluoro-3-methoxy-6-bromophenylboronic acid

EINECS N/A
CAS No. 871126-17-9 Density 1.68 g/cm3
PSA 49.69000 LogP 0.27660
Solubility N/A Melting Point N/A
Formula C7H7BBrFO3 Boiling Point 379.1 °C at 760 mmHg
Molecular Weight 248.844 Flash Point 183.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 871126-17-9 (6-Bromo-2-fluoro-3-methoxybenzeneboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (6-bromo-2-fluoro-3-methoxyphenyl)- (9CI);2-Fluoro-3-methoxy-6-bromophenylboronic acid;

 

2-Fluoro-3-methoxy-6-bromophenylboronic acid Specification

The 2-Fluoro-3-methoxy-6-bromophenylboronic acid with the cas number 871126-17-9 is also called Boronic acid,B-(6-bromo-2-fluoro-3-methoxyphenyl)-. The systematic name is (6-bromo-2-fluoro-3-methoxy-phenyl)boronic acid. Its molecular formula is C7H7BBrFO3. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Bromides.

The properties of the chemical are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.32; (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: 1.557; (10)Molar Refractivity: 47.48 cm3; (11)Molar Volume: 147.3 cm3; (12)Polarizability: 18.82×10-24cm3; (13)Surface Tension: 48.4 dyne/cm; (14)Enthalpy of Vaporization: 66.15 kJ/mol; (15)Vapour Pressure: 2.02×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(ccc(c1F)OC)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: NUWSIUDCKHWOJN-UHFFFAOYAM

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