CAS No.1912-45-4,5-CHLOROINDOLE-3-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1912-45-4
Name:	5-CHLOROINDOLE-3-ACETIC ACID
Article Data:	12

Formula:	C₁₀H₈ClNO₂
Molecular Weight:	209.632
Synonyms:	(5-Chloro-1H-indol-3-yl)acetic acid;5-Chloroindole-3-acetate;5-chloroindole-3-acetic acid;5-Chloro-IAA;C-4340;
Density:	1.483 g/cm³
Boiling Point:	445.6 °C at 760 mmHg
Flash Point:	223.3 °C
PSA:	53.09000
LogP:	2.44840

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Specification

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