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6-Bromo-2-chloro-3-methylphenylboronic acid

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Name

6-Bromo-2-chloro-3-methylphenylboronic acid

EINECS N/A
CAS No. 957120-28-4 Density 1.69 g/cm3
PSA 40.46000 LogP 1.09070
Solubility N/A Melting Point N/A
Formula C7H7BBrClO2 Boiling Point 382.5 °C at 760 mmHg
Molecular Weight 249.30 Flash Point 185.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 957120-28-4 (6-Bromo-2-chloro-3-methylphenylboronic acid) Hazard Symbols N/A
Synonyms

6-Bromo-2-chloro-3-methylphenylboronic acid

 

6-Bromo-2-chloro-3-methylphenylboronic acid Specification

This chemical is called 6-Bromo-2-chloro-3-methylphenylboronic acid, and it can also be named as boronic acid, B-(6-bromo-2-chloro-3-methylphenyl)-. With the molecular formula of C7H7BBrClO2, its molecular weight is 249.30. The CAS registry number of this chemical is 957120-28-4, and its product categories are Blocks; BoronicAcids; Bromides.

Other characteristics of the 6-Bromo-2-chloro-3-methylphenylboronic acid can be summarised as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.28; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 50.46 cm3; (11)Molar Volume: 147.4 cm3; (12)Polarizability: 20×10-24cm3; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.69 g/cm3; (15)Flash Point: 185.1 °C; (16)Enthalpy of Vaporization: 66.55 kJ/mol; (17)Boiling Point: 382.5 °C at 760 mmHg; (18)Vapour Pressure: 1.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: B(c1c(ccc(c1Cl)C)Br)(O)O
2.InChI: InChI=1/C7H7BBrClO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
3.InChIKey: PULIDPRGYYCQEZ-UHFFFAOYAZ

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