Name: Methyl Alpha-Bromo-2-Chlorobenzeneacetic Acetate
SKU: 622835-93-2

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Basic Information

Molecular Structure:
CAS No.:	622835-93-2
Name:	Methyl Alpha-Bromo-2-Chlorobenzeneacetic Acetate
Article Data:	28

Formula:	C₉H₈BrClO₂
Molecular Weight:	263.518
Synonyms:	Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate;
Density:	1.567 g/cm³
Boiling Point:	281.1 °C at 760 mmHg
Flash Point:	123.8 °C
PSA:	26.30000
LogP:	2.94900

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Specification

The CAS register number of Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate is 622835-93-2. It also can be called as Benzeneacetic acid, a-bromo-2-chloro-, methyl ester, (aR)- and the systematic name about this chemical is benzeneacetic acid, α-bromo-2-chloro-, methyl ester, (alphaR)-. The molecular formula about this chemical is C₉H₈BrClO₂and the molecular weight is 263.52.

Physical properties about Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 233.06; (5)ACD/BCF (pH 7.4): 233.06; (6)ACD/KOC (pH 5.5): 1722.84; (7)ACD/KOC (pH 7.4): 1722.84; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 54.83 cm³; (13)Molar Volume: 168.1 cm³; (14)Polarizability: 21.74x10^-24cm³; (15)Surface Tension: 44.8 dyne/cm; (16)Enthalpy of Vaporization: 51.99 kJ/mol; (17)Boiling Point: 281.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00364 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@@H](c1ccccc1Cl)Br
(2)InChI: InChI=1/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3/t8-/m1/s1
(3)InChIKey: HMBUCZUZRQQJQD-MRVPVSSYBV
(4)Std. InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3/t8-/m1/s1
(5)Std. InChIKey: HMBUCZUZRQQJQD-MRVPVSSYSA-N