Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Chloroindole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 766557-02-2 | Density | 1.548 g/cm3 |
PSA | 53.09000 | LogP | 2.51950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6ClNO2 | Boiling Point | 449.7 °C at 760 mmHg |
Molecular Weight | 195.605 | Flash Point | 225.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Chloroindole-3-carboxylic acid;6-Chloro-1H-indole-3-carboxylicacid; |
Article Data | 13 |
The 6-Chloroindole-3-carboxylicacid, with the CAS registry number 766557-02-2, is also known as 6-Chloroindole-3-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C9H6ClNO2 and molecular weight is 195.60. What's more, its IUPAC name is 6-chloro-1H-indole-3-carboxylic acid.
Physical properties of 6-Chloroindole-3-carboxylicacid are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.728; (13)Molar Refractivity: 50.35 cm3; (14)Molar Volume: 126.3 cm3; (15)Polarizability: 19.96×10-24cm3; (16)Surface Tension: 72.5 dyne/cm; (17)Density: 1.548 g/cm3; (18)Flash Point: 225.8 °C; (19)Enthalpy of Vaporization: 74.66 kJ/mol; (20)Boiling Point: 449.7 °C at 760 mmHg; (21)Vapour Pressure: 7.12E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1cc(Cl)ccc12
(2)Std. InChI: InChI=1S/C9H6ClNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
(3)Std. InChIKey: WHQHEMBHJZAHSB-UHFFFAOYSA-N