Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloroindole-3-acetic acid |
EINECS | N/A |
CAS No. | 1912-45-4 | Density | 1.483 g/cm3 |
PSA | 53.09000 | LogP | 2.44840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8ClNO2 | Boiling Point | 445.6 °C at 760 mmHg |
Molecular Weight | 209.632 | Flash Point | 223.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Chloro-1H-indol-3-yl)acetic acid;5-Chloroindole-3-acetate;5-chloroindole-3-acetic acid;5-Chloro-IAA;C-4340; |
Article Data | 12 |
The 1H-Indole-3-aceticacid, 5-chloro-, with the CAS registry number 1912-45-4, is also known as 5-Chloroindole-3-acetate. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C10H8ClNO2 and molecular weight is 209.63. What's more, its IUPAC name is 2-(5-chloro-1H-indol-3-yl)acetic acid.
Physical properties of 1H-Indole-3-aceticacid, 5-chloro- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/BCF (pH 5.5): 1.98; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.23 Å2; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 54.53 cm3; (14)Molar Volume: 141.2 cm3; (15)Polarizability: 21.62×10-24cm3; (16)Surface Tension: 67.5 dyne/cm; (17)Density: 1.483 g/cm3; (18)Flash Point: 223.3 °C; (19)Enthalpy of Vaporization: 74.15 kJ/mol; (20)Boiling Point: 445.6 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CC(=O)O
(2)Std. InChI: InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
(3)Std. InChIKey: ZEIRLSDFVXNFGG-UHFFFAOYSA-N