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220464-68-6

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Basic Information
CAS No.: 220464-68-6
Name: Methyl 3-(Bromomethyl)-4-chlorobenzoate
Article Data: 11
Molecular Structure:
Molecular Structure of 220464-68-6 (Methyl 3-(Bromomethyl)-4-chlorobenzoate)
Formula: C9H8BrClO2
Molecular Weight: 263.518
Synonyms: Methyl3-bromomethyl-4-chlorobenzoate;
Density: 1.561 g/cm3
Boiling Point: 314.583 °C at 760 mmHg
Flash Point: 144.055 °C
PSA: 26.30000
LogP: 3.02150
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Specification

The CAS registry number of Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester is 220464-68-6. The IUPAC name is methyl 3-(bromomethyl)-4-chlorobenzoate. In addition, the molecular formula is C9H8BrClO2 and the molecular weight is 263.5156. It should be stored in a cool and dry place.

Physical properties about Benzoic acid,3-(bromomethyl)-4-chloro-,methyl ester are: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 252; (5)ACD/BCF (pH 7.4): 252; (6)ACD/KOC (pH 5.5): 1821; (7)ACD/KOC (pH 7.4): 1821; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 55.569 cm3; (13)Molar Volume: 168.769 cm3; (14)Polarizability: 22.029 ×10-24cm3; (15)Surface Tension: 44.928 dyne/cm; (16)Density: 1.561 g/cm3; (17)Flash Point: 144.055 °C; (18)Enthalpy of Vaporization: 55.576 kJ/mol; (19)Boiling Point: 314.583 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(ccc1Cl)C(=O)OC
(2)InChI: InChI=1/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
(3)InChIKey: OXXGTEJKZZKAJV-UHFFFAOYAX