1H-Indole-3-propanoicacid, 5-chloro- supplier

Name
5-CHLOROINDOLE-3-PROPIONIC ACID
EINECS
CAS No. 54904-22-2
Article Data9
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀ClNO₂
Boiling Point 447.9 °C at 760 mmHg
Molecular Weight 223.659
Flash Point 224.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloroindole-3-propionic acid;
PSA 53.09000
LogP 2.83850

1H-Indole-3-propanoicacid, 5-chloro- Specification

The 1H-Indole-3-propanoicacid, 5-chloro-, with the CAS registry number 54904-22-2, is also known as 5-Chloroindole-3-propionic acid. This chemical's molecular formula is C₁₁H₁₀ClNO₂ and molecular weight is 223.66. What's more, its systematic name is 3-(5-chloro-1H-indol-3-yl)propanoic acid.

Physical properties of 1H-Indole-3-propanoicacid, 5-chloro- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/BCF (pH 5.5): 6.09; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 69.35; (7)ACD/KOC (pH 7.4): 1.09; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 59.17 cm³; (14)Molar Volume: 157.7 cm³; (15)Polarizability: 23.45×10^-24cm³; (16)Surface Tension: 63.1 dyne/cm; (17)Density: 1.417 g/cm³; (18)Flash Point: 224.7 °C; (19)Enthalpy of Vaporization: 74.43 kJ/mol; (20)Boiling Point: 447.9 °C at 760 mmHg; (21)Vapour Pressure: 8.31E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CCC(=O)O
(2)Std. InChI: InChI=1S/C11H10ClNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
(3)Std. InChIKey: IUIMRMMVZDAFQI-UHFFFAOYSA-N

Product Name

5-CHLOROINDOLE-3-PROPIONIC ACID

1H-Indole-3-propanoicacid, 5-chloro- Specification

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