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19620-90-7

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Basic Information
CAS No.: 19620-90-7
Name: Ethanone,1-(5-bromo-1H-indol-3-yl)-
Article Data: 40
Molecular Structure:
Molecular Structure of 19620-90-7 (Ethanone,1-(5-bromo-1H-indol-3-yl)-)
Formula: C10H8BrNO
Molecular Weight: 238.084
Synonyms: Ketone,5-bromoindol-3-yl methyl (8CI);1-(5-Bromo-1H-indol-3-yl)ethanone;3-Acetyl-5-bromo-1H-indole;
Density: 1.592 g/cm3
Boiling Point: 388.995 °C at 760 mmHg
Flash Point: 189.058 °C
PSA: 32.86000
LogP: 3.13300
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Specification

The Ethanone,1-(5-bromo-1H-indol-3-yl)-, with the CAS registry number 19620-90-7, is also known as 3-Acetyl-5-bromoindole. It belongs to the product category of Indole. This chemical's molecular formula is C10H8BrNO and molecular weight is 238.08062. What's more, its systematic name is called 1-(5-Bromo-1H-indol-3-yl)ethanone.

Physical properties about Ethanone,1-(5-bromo-1H-indol-3-yl)- are: (1) ACD/LogP: 2.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 97; (6) ACD/BCF (pH 7.4): 97; (7) ACD/KOC (pH 5.5): 920; (8) ACD/KOC (pH 7.4): 920; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 32.86 Å2; (13) Index of Refraction: 1.676; (14) Molar Refractivity: 56.247 cm3; (15) Molar Volume: 149.587 cm3; (16) Surface Tension: 54.475 dyne/cm; (17) Density: 1.592 g/cm3; (18) Flash Point: 189.058 °C; (19) Enthalpy of Vaporization: 63.827 kJ/mol; (20) Boiling Point: 388.995 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c2cnc1ccc(Br)cc12
(2) InChI: InChI=1/C10H8BrNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-5,12H,1H3
(3) InChIKey: RMCQCVYGHWTDSP-UHFFFAOYAR