Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 7-bromo-1H-indole-2-carboxylate |
EINECS | N/A |
CAS No. | 16732-69-7 | Density | 1.554 g/cm3 |
PSA | 42.09000 | LogP | 3.10710 |
Solubility | N/A | Melting Point |
85-86 °C(Solv: ethanol (64-17-5)) |
Formula | C11H10BrNO2 | Boiling Point | 394.7 °C at 760 mmHg |
Molecular Weight | 268.11 | Flash Point | 192.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indole-2-carboxylicacid, 7-bromo-, ethyl ester (6CI,8CI);7-Bromo-1H-indole-2-carboxylic acidethyl ester;Ethyl 7-bromoindol-2-carboxylate; |
Article Data | 6 |
The IUPAC name of Ethyl 7-bromo-1H-indole-2-carboxylate is ethyl 7-bromo-1H-indole-2-carboxylate. With the CAS registry number 16732-69-7, it is also named as 7-Bromoindole-2-carboxylic acid ethyl ester. In addition, its molecular formula is C11H10BrNO2 and its molecular weight is 268.11.
The other characteristics of Ethyl 7-bromo-1H-indole-2-carboxylate can be summarized as: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 517.14; (6)ACD/BCF (pH 7.4): 517.14; (7)ACD/KOC (pH 5.5): 3047.93; (8)ACD/KOC (pH 7.4): 3047.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 62.62 cm3; (15)Molar Volume: 172.4 cm3; (16)Polarizability: 24.82×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 192.5 °C; (20)Enthalpy of Vaporization: 64.47 kJ/mol; (21)Boiling Point: 394.7 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cccc2c1nc(c2)C(=O)OCC
(2)InChI: InChI=1/C11H10BrNO2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3
(3)InChIKey: FKIRSCKRJJUCNI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3
(5)Std. InChIKey: FKIRSCKRJJUCNI-UHFFFAOYSA-N )