1H-Indole-3-aceticacid, 5-chloro-2-methyl- supplier

Name
(5-CHLORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID
EINECS
CAS No. 19017-52-8
Article Data11
CAS DataBase
Density 1.419 g/cm³
Solubility
Melting Point 190 °C (decomp)
Formula C₁₁H₁₀ClNO₂
Boiling Point 448.4 °C at 760 mmHg
Molecular Weight 223.659
Flash Point 225 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-aceticacid, 5-chloro-2-methyl- (7CI,8CI);2-(5-Chloro-2-methyl-1H-indol-3-yl)aceticacid;2-Methyl-5-chloroindole-3-acetic acid;
PSA 53.09000
LogP 2.75680

1H-Indole-3-aceticacid, 5-chloro-2-methyl- Specification

The 1H-Indole-3-aceticacid, 5-chloro-2-methyl-, with the CAS registry number 19017-52-8, is also known as 2-Methyl-5-chloroindole-3-acetic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₁₀ClNO₂ and molecular weight is 223.66. What's more, its systematic name and its IUPAC name are the same which is called 2-(5-Chloro-2-methyl-1H-indol-3-yl)acetic acid.

Physical properties about 1H-Indole-3-aceticacid, 5-chloro-2-methyl-: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 2.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.71; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 59.36 cm³; (15)Molar Volume: 157.5 cm³; (16)Surface Tension: 62.3 dyne/cm; (17)Density: 1.419 g/cm³; (18)Flash Point: 225 °C; (19)Enthalpy of Vaporization: 74.5 kJ/mol; (20)Boiling Point: 448.4 °C at 760 mmHg; (21)Vapour Pressure: 7.96E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nc(c2CC(=O)O)C
(2) InChI: InChI=1/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
(3) InChIKey: OAIODEZFMSXHFQ-UHFFFAOYAH

Product Name

(5-CHLORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID

1H-Indole-3-aceticacid, 5-chloro-2-methyl- Specification

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