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CAS No.: | 103858-52-2 |
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Name: | 4-Bromoindole-2-carboxylic acid ethyl ester |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H10BrNO2 |
Molecular Weight: | 268.11 |
Synonyms: | 4-Bromo-1H-Indole-2-carboxylic acid ethylester;Indole-2-carboxylicacid, 4-bromo-, ethyl ester (6CI);4-Bromoindole-2-carboxylic acid ethyl ester; |
Density: | 1.555 g/cm3 |
Boiling Point: | 394.691 °C at 760 mmHg |
Flash Point: | 192.503 °C |
PSA: | 42.09000 |
LogP: | 3.10710 |
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The CAS registry number of 4-Bromoindole-2-carboxylic acid ethyl ester is 103858-52-2. This chemical's molecular formula is C11H10BrNO2 and molecular weight is 268.11. Its systematic name is called ethyl 4-bromo-1H-indole-2-carboxylate.
Physical properties of 4-Bromoindole-2-carboxylic acid ethyl ester: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 517; (5)ACD/BCF (pH 7.4): 517; (6)ACD/KOC (pH 5.5): 3048; (7)ACD/KOC (pH 7.4): 3048; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 62.625 cm3; (13)Molar Volume: 172.456 cm3; (14)Surface Tension: 53.24 dyne/cm; (15)Density: 1.555 g/cm3; (16)Flash Point: 192.503 °C; (17)Enthalpy of Vaporization: 64.475 kJ/mol; (18)Boiling Point: 394.691 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c2cc1c(cccc1Br)n2
(2)InChI: InChI=1/C11H10BrNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
(3)InChIKey: KNPDUPLMXYEJAU-UHFFFAOYAI