CAS No.54904-23-3,3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54904-23-3
Name:	3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID
Article Data:	6

Formula:	C₁₁H₁₀BrNO₂
Molecular Weight:	268.11
Synonyms:	5-Bromo-indol-3-propionic acid;3-(5-Bromo-1H-indol-3-yl)propanoic acid;
Density:	1.654 g/cm³
Boiling Point:	467.5 °C at 760 mmHg
Flash Point:	236.5 °C
PSA:	53.09000
LogP:	2.94760

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Specification

The 1H-Indole-3-propanoicacid, 5-bromo-, with the CAS registry number 54904-23-3, is also known as 5-Bromo-indol-3-propionic acid. It belongs to the product categories of Aromatic Propionic Acids; Carboxylic Acids; Pyrroles & Indoles; Carboxylic Acids; Pyrroles & Indoles. This chemical's molecular formula is C₁₁H₁₀BrNO₂ and molecular weight is 268.11. What's more, its systematic name is 3-(5-bromo-1H-indol-3-yl)propanoic acid.

Physical properties of 1H-Indole-3-propanoicacid, 5-bromo- are:(1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/BCF (pH 5.5): 6.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 75.28; (7)ACD/KOC (pH 7.4): 1.18; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.09 Å²; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 61.96 cm³; (14)Molar Volume: 162 cm³; (15)Polarizability: 24.56×10^-24cm³; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.654 g/cm³; (18)Flash Point: 236.5 °C; (19)Enthalpy of Vaporization: 76.85 kJ/mol; (20)Boiling Point: 467.5 °C at 760 mmHg; (21)Vapour Pressure: 1.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCc2cnc1ccc(Br)cc12
(2)Std. InChI: InChI=1S/C11H10BrNO2/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: DRCUGRYTGTWNRN-UHFFFAOYSA-N