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| CAS No.: | 915201-07-9 |
|---|---|
| Name: | 3-CHLORO-5-METHOXYBENZENEBORONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H8BClO3 |
| Molecular Weight: | 186.403 |
| Synonyms: | 3-CHLORO-5-METHOXYBENZENEBORONIC ACID;3-Chloro-5-methoxyphenylboronic acid |
| Density: | 1.32 g/cm3 |
| Melting Point: | 185-189°C |
| Boiling Point: | 359.6 °C at 760 mmHg |
| Flash Point: | 171.3 °C |
| Solubility: | Insoluble in water. |
| PSA: | 49.69000 |
| LogP: | 0.02840 |
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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