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800400-79-7

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Basic Information
CAS No.: 800400-79-7
Name: 1-(2-BROMO-5,6-DICHLORO-1H-INDOL-3-YL)ETHANONE
Molecular Structure:
Molecular Structure of 800400-79-7 (1-(2-BROMO-5,6-DICHLORO-1H-INDOL-3-YL)ETHANONE)
Formula: C10H6BrCl2NO
Molecular Weight: 306.97074
Synonyms: 1-(2-Bromo-5,6-dichloro-1H-indol-3-yl)ethanone;
Density: 1.769 g/cm3
Boiling Point: 455 °C at 760 mmHg
Flash Point: 229 °C
PSA: 32.86000
LogP: 4.43980
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  • 1-(2-BROMO-5,6-DICHLORO-1H-INDOL-3-YL)ETHANONE

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    1-(2-BROMO-5,6-DICHLORO-1H-INDOL-3-YL)ETHANONE

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    1-(2-BROMO-5,6-DICHLORO-1H-INDOL-3-YL)ETHANONEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of Ethanone,1-(2-bromo-5,6-dichloro-1H-indol-3-yl)- is 800400-79-7. This chemical's molecular formula is C10H6BrCl2NO and molecular weight is 306.97074. What's more, its systematic name is called 1-(2-Bromo-5,6-dichloro-1H-indol-3-yl)ethanone.

Physical properties about Ethanone,1-(2-bromo-5,6-dichloro-1H-indol-3-yl)- are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 567.02; (6)ACD/BCF (pH 7.4): 567; (7)ACD/KOC (pH 5.5): 3255.58; (8)ACD/KOC (pH 7.4): 3255.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 66.03 cm3; (15)Molar Volume: 173.4 cm3; (16)Surface Tension: 57.6 dyne/cm; (17)Density: 1.769 g/cm3; (18)Flash Point: 229 °C; (19)Enthalpy of Vaporization: 71.47 kJ/mol; (20)Boiling Point: 455 °C at 760 mmHg; (21)Vapour Pressure: 1.82E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1Cl)nc(Br)c2C(=O)C
(2) InChI: InChI=1/C10H6BrCl2NO/c1-4(15)9-5-2-6(12)7(13)3-8(5)14-10(9)11/h2-3,14H,1H3
(3) InChIKey: SDZTVVBTDGWSKB-UHFFFAOYAA