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668262-52-0

Basic Information
CAS No.: 668262-52-0
Name: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE
Article Data: 11
Molecular Structure:
Molecular Structure of 668262-52-0 (METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE)
Formula: C9H8BrClO2
Molecular Weight: 263.518
Synonyms: Methyl 2-(bromomethyl)-5-chloro-benzoate;Methyl-2-(brommethyl)-5-chlorbenzoate;2-Bromomethyl-5-chloro-benzoic acid methyl ester;
Density: 1.561 g/cm3
Boiling Point: 331 °C at 760 mmHg
Flash Point: 154 °C
PSA: 26.30000
LogP: 3.02150
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Specification

The Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester, with the CAS registry number 668262-52-0, is also known as 2-Bromomethyl-5-chloro-benzoic acid methyl ester. This chemical's molecular formula is C9H8BrClO2 and molecular weight is 263.52. What's more, its systematic name is methyl 2-(bromomethyl)-5-chloro-benzoate. 

Physical properties of Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 55.56 cm3; (11)Molar Volume: 168.7 cm3; (12)Polarizability: 22.02×10-24cm3; (13)Surface Tension: 44.9 dyne/cm; (14)Density: 1.561 g/cm3; (15)Flash Point: 154 °C; (16)Enthalpy of Vaporization: 57.36 kJ/mol; (17)Boiling Point: 331 °C at 760 mmHg; (18)Vapour Pressure: 0.00016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(ccc1CBr)Cl
(2)InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
(3)InChIKey: PVGXSSGKABOXTL-UHFFFAOYSA-N