6-Chloroindole-3-carboxylic acid supplier

Name
6-Chloroindole-3-carboxylic acid
EINECS
CAS No. 766557-02-2
Article Data13
CAS DataBase
Density 1.548 g/cm³
Solubility
Melting Point
Formula C₉H₆ClNO₂
Boiling Point 449.7 °C at 760 mmHg
Molecular Weight 195.605
Flash Point 225.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloroindole-3-carboxylic acid;6-Chloro-1H-indole-3-carboxylicacid;
PSA 53.09000
LogP 2.51950

6-Chloroindole-3-carboxylic acid Specification

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

Product Name

6-Chloroindole-3-carboxylic acid

6-Chloroindole-3-carboxylic acid Specification

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