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CAS No.: | 53590-59-3 |
---|---|
Name: | 6-Chloro-1H-indole-2-carbaldehyde |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H6ClNO |
Molecular Weight: | 179.606 |
Synonyms: | 1H-Indole-2-carboxaldehyde, 6-chloro-; |
Density: | 1.431 g/cm3 |
Boiling Point: | 373.394 °C at 760 mmHg |
Flash Point: | 179.623 °C |
PSA: | 32.86000 |
LogP: | 2.63380 |
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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