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62123-80-2

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Basic Information
CAS No.: 62123-80-2
Name: ETHYL 3-BROMOBENZOYL FORMATE
Article Data: 3
Molecular Structure:
Molecular Structure of 62123-80-2 (ETHYL 3-BROMOBENZOYL FORMATE)
Formula: C10H9BrO3
Molecular Weight: 257.084
Synonyms: Ethyl 3-bromobenzoyl formate;
Density: 1.48 g/cm3
Boiling Point: 323.6 °C at 760 mmHg
Flash Point: 149.5 °C
PSA: 43.37000
LogP: 2.19490
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Specification

The Ethyl 2-(3-bromophenyl)-2-oxoacetate, with the CAS registry number 62123-80-2, is also known as Ethyl 3-bromobenzoyl formate. This chemical's molecular formula is C10H9BrO3 and molecular weight is 257.08. What's more, its systematic name is Ethyl 2-(3-bromophenyl)-2-oxo-acetate.

Physical properties about Ethyl 2-(3-bromophenyl)-2-oxoacetate are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 43.37 Å2; (9)Index of Refraction: 1.546; (10)Molar Refractivity: 55.01 cm3; (11)Molar Volume: 173.6 cm3; (12)Polarizability: 21.8×10-24 cm3; (13)Surface Tension: 44 dyne/cm; (14)Density: 1.48 g/cm3; (15)Flash Point: 149.5 °C; (16)Enthalpy of Vaporization: 56.55 kJ/mol; (17)Boiling Point: 323.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00026 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(Br)ccc1)C(=O)OCC
(2) InChI: InChI=1/C10H9BrO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
(3) InChIKey: SVPWKTIUMGLHFL-UHFFFAOYAG