Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Chloro-1H-indole-2-carbaldehyde |
EINECS | N/A |
CAS No. | 53590-59-3 | Density | 1.431 g/cm3 |
PSA | 32.86000 | LogP | 2.63380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6ClNO | Boiling Point | 373.394 °C at 760 mmHg |
Molecular Weight | 179.606 | Flash Point | 179.623 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Indole-2-carboxaldehyde, 6-chloro-; |
Article Data | 11 |
The CAS registry number of 6-Chloro-1H-indole-2-carbaldehyde is 53590-59-3. This chemical is also named as 1H-Indole-2-carboxaldehyde, 6-chloro-. In addition, its molecular formula is C9H6ClNO and molecular weight is 179.603. Its systematic name is called 6-chloro-1H-indole-2-carbaldehyde.
Physical properties about 6-Chloro-1H-indole-2-carbaldehyde are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 356; (8)ACD/KOC (pH 7.4): 356; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 50.176 cm3; (14)Molar Volume: 125.488 cm3; (15)Surface Tension: 61.655 dyne/cm; (16)Density: 1.431 g/cm3; (17)Flash Point: 179.623 °C; (18)Enthalpy of Vaporization: 62.066 kJ/mol; (19)Boiling Point: 373.394 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2cc(C=O)nc2c
(2)InChI: InChI=1/C9H6ClNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
(3)InChIKey: GSSNKPINGXEIFI-UHFFFAOYAC