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| CAS No.: | 385370-80-9 |
|---|---|
| Name: | 2-CHLORO-6-METHOXYPHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C7H8BClO3 |
| Molecular Weight: | 186.403 |
| 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; |
| Density: | 1.32g/cm3 |
| Melting Point: | 162-165 °C(lit.) |
| Boiling Point: | 355.5 °C at 760 mmHg |
| Flash Point: | 168.8 °C |
| PSA: | 49.69000 |
| LogP: | 0.02840 |
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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