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Name |
Ethyl 2-(3-bromophenyl)-2-oxoacetate |
EINECS | N/A |
CAS No. | 62123-80-2 | Density | 1.48 g/cm3 |
PSA | 43.37000 | LogP | 2.19490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9BrO3 | Boiling Point | 323.6 °C at 760 mmHg |
Molecular Weight | 257.084 | Flash Point | 149.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 3-bromobenzoyl formate; |
Article Data | 3 |
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