1H-Indole-3-acetamide,5-bromo- supplier

Name
5-BROMOINDOLE-3-ACETAMIDE
EINECS
CAS No. 196081-79-5
Article Data5
CAS DataBase
Density 1.668 g/cm³
Solubility
Melting Point 290?°C (dec.)
Formula C₁₀H₉BrN₂O
Boiling Point 517.5 °C at 760 mmHg
Molecular Weight 253.098
Flash Point 266.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms 5-Bromoindole-3-acetamide;2-(5-Bromo-1H-indol-3-yl)acetamide;
PSA 58.88000
LogP 2.65850

1H-Indole-3-acetamide,5-bromo- Specification

The 1H-Indole-3-acetamide,5-bromo-, with the CAS registry number 196081-79-5, is also known as 5-Bromoindole-3-acetamide. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C₁₀H₉BrN₂O and molecular weight is 253.10. What's more, its systematic name is 2-(5-bromo-1H-indol-3-yl)acetamide.

Physical properties of 1H-Indole-3-acetamide,5-bromo- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.31; (8)ACD/KOC (pH 7.4): 111.31; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.24 Å²; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 59.33 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 23.52×10^-24cm³; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.668 g/cm³; (19)Flash Point: 266.8 °C; (20)Enthalpy of Vaporization: 78.98 kJ/mol; (21)Boiling Point: 517.5 °C at 760 mmHg; (22)Vapour Pressure: 8.18E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)ncc2CC(=O)N
(2)Std. InChI: InChI=1S/C10H9BrN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)
(3)Std. InChIKey: DVPBWLLOGOINDW-UHFFFAOYSA-N

Product Name

5-BROMOINDOLE-3-ACETAMIDE

1H-Indole-3-acetamide,5-bromo- Specification

Related Products

Hot Products