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CAS No.: | 1033201-65-8 |
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Name: | 7-bromo-2-Benzofurancarboxylic acid ethyl ester |
Molecular Structure: | |
Formula: | C11H9BrO3 |
Molecular Weight: | 269.09136 |
Synonyms: | 7-Bromo-2-Benzofurancarboxylic acid ethyl ester; |
Density: | 1.521 g/cm3 |
Boiling Point: | 328.307 °C at 760 mmHg |
Flash Point: | 152.355 °C |
PSA: | 39.44000 |
LogP: | 3.37200 |
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The Ethyl 7-bromobenzofuran-2-carboxylate, with the CAS registry number 1033201-65-8, is also known as 7-Bromo-2-Benzofurancarboxylic acid ethyl ester. This chemical's molecular formula is C11H9BrO3 and molecular weight is 269.09136. What's more, its systematic name is Ethyl 7-bromobenzofuran-2-carboxylate.
Physical properties about Ethyl 7-bromobenzofuran-2-carboxylate are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.804; (4)ACD/LogD (pH 7.4): 3.804; (5)ACD/BCF (pH 5.5): 458.116; (6)ACD/BCF (pH 7.4): 458.116; (7)ACD/KOC (pH 5.5): 2794.666; (8)ACD/KOC (pH 7.4): 2794.666; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 60.491 cm3; (15)Molar Volume: 176.928 cm3; (16)Polarizability: 23.981×10-24 cm3; (17)Surface Tension: 45.778 dyne/cm; (18)Density: 1.521 g/cm3; (19)Flash Point: 152.355 °C; (20)Enthalpy of Vaporization: 57.069 kJ/mol; (21)Boiling Point: 328.307 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc2cccc(c2o1)Br
(2) InChI: InChI=1/C11H9BrO3/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,2H2,1H3
(3) InChIKey: PHNYOGFMKPEKDS-UHFFFAOYAV