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137420-52-1

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Basic Information
CAS No.: 137420-52-1
Name: 2-(3-Chlorophenyl)-2-bromoacetic acid methyl ester
Article Data: 12
Molecular Structure:
Molecular Structure of 137420-52-1 (2-(3-Chlorophenyl)-2-bromoacetic acid methyl ester)
Formula: C9H8BrClO2
Molecular Weight: 263.518
Synonyms: Methyl 2-bromo-2-(3-chlorophenyl)acetate;Methyl bromo(3-chlorophenyl)acetate;Methyl α-bromo-3-chlorobenzeneacetate;Methyl α-bromo-3-chlorophenylacetate;α-Bromo-3-chlorophenylacetic acid methyl ester;
Density: 1.567 g/cm3
Boiling Point: 279.6 °C at 760 mmHg
Flash Point: 122.9 °C
PSA: 26.30000
LogP: 2.94900
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Specification

The Benzeneacetic acid, α-bromo-3-chloro-, methyl ester, with the CAS registry number 137420-52-1, is also known as Methyl 2-bromo-2-(3-chlorophenyl)acetate. This chemical's molecular formula is C9H8BrClO2 and molecular weight is 263.52. What's more, its systematic name is methyl bromo(3-chlorophenyl)acetate.

Physical properties of Benzeneacetic acid, α-bromo-3-chloro-, methyl ester are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 233.06; (6)ACD/BCF (pH 7.4): 233.06; (7)ACD/KOC (pH 5.5): 1722.84; (8)ACD/KOC (pH 7.4): 1722.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 54.83 cm3; (15)Molar Volume: 168.1 cm3; (16)Polarizability: 21.74×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.567 g/cm3; (19)Flash Point: 122.9 °C; (20)Enthalpy of Vaporization: 51.83 kJ/mol; (21)Boiling Point: 279.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00397 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)C(Br)C(=O)OC
(2)InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-3-2-4-7(11)5-6/h2-5,8H,1H3
(3)InChIKey: KJOCXNLVYWTJLL-UHFFFAOYSA-N