6-Bromoindole-2-carboxylic acid supplier

Name
6-Bromoindole-2-carboxylic acid
EINECS
CAS No. 16732-65-3
Article Data6
CAS DataBase
Density 1.838 g/cm³
Solubility
Melting Point 221-223 °C
Formula C₉H₆BrNO₂
Boiling Point 470.9 °C at 760 mmHg
Molecular Weight 240.056
Flash Point 238.6 °C
Transport Information
Appearance Light yellow powder
Safety 36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 6-bromo indole-2-carboxylic acid;Bromoindole-2-carboxylicacid;
PSA 53.09000
LogP 2.62860

6-Bromoindole-2-carboxylic acid Specification

The 6-Bromoindole-2-carboxylic acid is an organic compound with the formula C₉H₆BrNO₂. The IUPAC name of this chemical is 6-bromo-1H-indole-2-carboxylic acid. With the CAS registry number 16732-65-3, it is also named as 1H-indole-2-carboxylic acid, 6-bromo-. The product's categories are Indole / Indoline/ Oxindole; Indole and Indoline; Indoles and Derivatives; Indole; Indoles. It is light yellow powder.

The other characteristics of 6-Bromoindole-2-carboxylic acid can be summarized as: (1).ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 5.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.97; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.749; (13)Molar Refractivity: 53.14 cm³; (14)Molar Volume: 130.5 cm³; (15)Polarizability: 21.06×10^-24 cm³; (16)Surface Tension: 74.2 dyne/cm; (17)Enthalpy of Vaporization: 77.28 kJ/mol; (18)Vapour Pressure: 1.13E-09 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 5; (21)Exact Mass: 238.958191; (22)MonoIsotopic Mass: 238.958191; (23)Topological Polar Surface Area: 53.1; (24)Heavy Atom Count: 13; (25)Complexity: 222.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc2c(c1)nc(c2)C(=O)O
2. InChI:InChI=1/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
3. InChIKey:SVBVYRYROZWKNJ-UHFFFAOYAB
4. Std. InChI:InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
5. Std. InChIKey:SVBVYRYROZWKNJ-UHFFFAOYSA-N

Product Name

6-Bromoindole-2-carboxylic acid

6-Bromoindole-2-carboxylic acid Specification

Related Products

Hot Products