Basic Information | Post buying leads | Suppliers |
Name |
7-Chloroindole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 86153-24-4 | 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 | 195.6024 | Flash Point | 225.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Chloro-1H-indole-3-carboxylicacid;7-Chloroindole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 7-chloro-; |
The 1H-Indole-3-carboxylicacid, 7-chloro-, with the CAS registry number 86153-24-4, has the systematic name and IUPAC name of 7-chloro-1H-indole-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H6ClNO2.
The characteristics of 1H-Indole-3-carboxylicacid, 7-chloro- are as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 0.09; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 53.09 Å2; (9)Index of Refraction: 1.728; (10)Molar Refractivity: 50.35 cm3; (11)Molar Volume: 126.3 cm3; (12)Polarizability: 19.96×10-24cm3; (13)Surface Tension: 72.5 dyne/cm; (14)Density: 1.548 g/cm3; (15)Flash Point: 225.8 °C; (16)Enthalpy of Vaporization: 74.66 kJ/mol; (17)Boiling Point: 449.7 °C at 760 mmHg; (18)Vapour Pressure: 7.12E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c2cnc1c(Cl)cccc12
(2)InChI: InChI=1/C9H6ClNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
(3)InChIKey: DBCJWTBYVXEBJY-UHFFFAOYAC