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3-Chloro-5-methoxyphenylboronic acid

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Name

3-Chloro-5-methoxyphenylboronic acid

EINECS N/A
CAS No. 915201-07-9 Density 1.32 g/cm3
PSA 49.69000 LogP 0.02840
Solubility Insoluble in water. Melting Point 185-189°C
Formula C7H8BClO3 Boiling Point 359.6 °C at 760 mmHg
Molecular Weight 186.403 Flash Point 171.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 915201-07-9 (3-CHLORO-5-METHOXYBENZENEBORONIC ACID) Hazard Symbols N/A
Synonyms

3-CHLORO-5-METHOXYBENZENEBORONIC ACID;3-Chloro-5-methoxyphenylboronic acid

Article Data 2

3-Chloro-5-methoxyphenylboronic acid Specification

This chemical is called 3-Chloro-5-methoxyphenylboronic acid, and it can also be named as B-(3-Chloro-5-methoxyphenyl)boronic acid. With the molecular formula of C7H8BClO3, its molecular weight is 186.40. The CAS registry number of this chemical is 915201-07-9.

Other characteristics of the 3-Chloro-5-methoxyphenylboronic acid can be summarised as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 34.03; (6)ACD/BCF (pH 7.4): 12.07; (7)ACD/KOC (pH 5.5): 431.73; (8)ACD/KOC (pH 7.4): 153.16; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 44.48 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 17.63×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 171.3 °C; (20)Enthalpy of Vaporization: 63.85 kJ/mol; (21)Boiling Point: 359.6 °C at 760 mmHg; (22)Vapour Pressure: 8.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OB(O)c1cc(cc(Cl)c1)OC
2.InChI: InChI=1/C7H8BClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
3.InChIKey: WAVZSRUGKKOQRB-UHFFFAOYAA
4.Std. InChI: InChI=1S/C7H8BClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
5.Std. InChIKey: WAVZSRUGKKOQRB-UHFFFAOYSA-N

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