(5-Bromo-6-chloro-1H-indol-3-yl) acetate supplier

Name
5-BROMO-6-CHLORO-3-INDOXYL-3-ACETATE
EINECS
CAS No. 102185-48-8
Density 1.721 g/cm³
Solubility
Melting Point
Formula C₁₀H₇BrClNO₂
Boiling Point 429.25 °C at 760 mmHg
Molecular Weight 288.528
Flash Point 213.403 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indol-3-ol,5-bromo-6-chloro-, acetate (ester) (9CI);Indoxyl, 5-bromo-6-chloro-, acetate(6CI);5-Bromo-6-chloro-3-indoxyl acetate;5-Bromo-6-chloroindoxyl acetate;
PSA 42.09000
LogP 3.50910

(5-Bromo-6-chloro-1H-indol-3-yl) acetate Specification

The 1H-Indol-3-ol,5-bromo-6-chloro-, 3-acetate, with the CAS registry number 102185-48-8, is also known as 5-Bromo-6-chloro-3-indolyl acetate. This chemical's molecular formula is C₁₀H₇BrClNO₂ and molecular weight is 288.53. What's more, both its IUPAC name and systematic name are the same which is called (5-Bromo-6-chloro-1H-indol-3-yl) acetate.

Physical properties about 1H-Indol-3-ol,5-bromo-6-chloro-, 3-acetate are: (1)ACD/LogP: 3.372; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 215.16; (6)ACD/BCF (pH 7.4): 215.16; (7)ACD/KOC (pH 5.5): 1627.01; (8)ACD/KOC (pH 7.4): 1627.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.09 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 62.455 cm³; (15)Molar Volume: 167.636 cm³; (16)Polarizability: 24.759×10^-24cm³; (17)Surface Tension: 56.008 dyne/cm; (18)Density: 1.721 g/cm³; (19)Flash Point: 213.403 °C; (20)Enthalpy of Vaporization: 68.452 kJ/mol; (21)Boiling Point: 429.25 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2c(cc1Cl)ncc2OC(=O)C
(2) InChI: InChI=1S/C10H7BrClNO2/c1-5(14)15-10-4-13-9-3-8(12)7(11)2-6(9)10/h2-4,13H,1H3
(3) InChIKey: ZGNSHSQWMJVXLS-UHFFFAOYSA-N

Product Name

5-BROMO-6-CHLORO-3-INDOXYL-3-ACETATE

(5-Bromo-6-chloro-1H-indol-3-yl) acetate Specification

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