Nonanoic acid,5-bromo-1H-indol-3-yl ester supplier

Name
5-BROMO-3-INDOXYL NONANOATE
EINECS
CAS No. 133950-70-6
Density 1.298g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂BrNO₂
Boiling Point 464.037 °C at 760 mmHg
Molecular Weight 352.271
Flash Point 234.442 °C
Transport Information
Appearance white to off-white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms RARECHEM AH BS 0021;BLUE-NONANOATE;LAPIS(TM)-NONANOATE;5-BROMO-3-INDOLYL NONANOATE;5-BROMO-3-INDOXYL NONANOATE
PSA 42.09000
LogP 5.58640

Nonanoic acid,5-bromo-1H-indol-3-yl ester Specification

The Nonanoic acid,5-bromo-1H-indol-3-yl ester, with CAS registry number 133950-70-6, has the systematic name of 5-bromo-1H-indol-3-yl nonanoate. Besides this, it is also called 5-Bromo-3-indoxyl nonanoate. Its molecular weight is 352.28. And the chemical formula of this chemical is C₁₇H₂₂BrNO₂.

Physical properties of Nonanoic acid,5-bromo-1H-indol-3-yl ester: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 42.09 Å²; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 89.99 cm³; (9)Molar Volume: 271.232 cm³; (10)Polarizability: 35.675×10^-24cm³; (11)Surface Tension: 44.673 dyne/cm; (12)Density: 1.299 g/cm³; (13)Flash Point: 234.442 °C; (14)Enthalpy of Vaporization: 72.538 kJ/mol; (15)Boiling Point: 464.037 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)ncc2OC(=O)CCCCCCCC
(2)InChI: InChI=1/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3
(3)InChIKey: KWRFASVVDCCIEJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3
(5)Std. InChIKey: KWRFASVVDCCIEJ-UHFFFAOYSA-N

Product Name

5-BROMO-3-INDOXYL NONANOATE

Nonanoic acid,5-bromo-1H-indol-3-yl ester Specification

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