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Boronic acid,B-(2-chloro-6-methoxyphenyl)-

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Name

Boronic acid,B-(2-chloro-6-methoxyphenyl)-

EINECS N/A
CAS No. 385370-80-9 Density 1.32g/cm3
PSA 49.69000 LogP 0.02840
Solubility N/A Melting Point 162-165 °C(lit.)
Formula C7H8BClO3 Boiling Point 355.5 °C at 760 mmHg
Molecular Weight 186.403 Flash Point 168.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 385370-80-9 (2-CHLORO-6-METHOXYPHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, (2-chloro-6-methoxyphenyl)- (9CI);(2-Chloro-6-methyloxyphenyl)boronicacid;2-Chloro-6-methoxybenzeneboronic acid;2-Chloro-6-methoxyphenylboronicacid;6-Chloro-2-methoxyphenylboronic acid;

 

Boronic acid,B-(2-chloro-6-methoxyphenyl)- Specification

The Boronic acid,B-(2-chloro-6-methoxyphenyl)-, with CAS registry number 385370-80-9, belongs to the following product categories: (1)Aryl; (2)Boronic Acids and Derivatives; (3)Boronic Acids. It has the systematic name of (2-chloro-6-methoxyphenyl)boronic acid. And the chemical formula of this chemical is C7H8BClO3.

Physical properties of Boronic acid,B-(2-chloro-6-methoxyphenyl)-: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 44.48 cm3; (9)Molar Volume: 140.7 cm3; (10)Polarizability: 17.63×10-24cm3; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.32 g/cm3; (13)Flash Point: 168.8 °C; (14)Enthalpy of Vaporization: 63.38 kJ/mol; (15)Boiling Point: 355.5 °C at 760 mmHg; (16)Vapour Pressure: 1.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(OC)c1B(O)O
(2)InChI: InChI=1/C7H8BClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
(3)InChIKey: XNWCIDBPLDKKAG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
(5)Std. InChIKey: XNWCIDBPLDKKAG-UHFFFAOYSA-N

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