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114041-34-8

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Basic Information
CAS No.: 114041-34-8
Name: 9-Acetyl-6-chloro-2-(2-chloro-1-oxopropyl)-9H-carbazole
Molecular Structure:
Molecular Structure of 114041-34-8 (9-Acetyl-6-chloro-2-(2-chloro-1-oxopropyl)-9H-carbazole)
Formula: C17H13Cl2NO2
Molecular Weight: 334.20
Synonyms: 1-(9-Acetyl-6-chloro-9H-carbazol-2-yl)-2-chloropropan-1-one;9-Acetyl-6-chloro-2-(2-chloro-1-oxopropyl)-9H-carbazole;9H-Carbazole, 9-acetyl-6-chloro-2-(2-chloro-1-oxopropyl)-;
Density: 1.375 g/cm3
Boiling Point: 454.107 °C at 760 mmHg
Flash Point: 228.436 °C
PSA: 39.07000
LogP: 4.91800
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Specification

The 1-Propanone, 1-(9-acetyl-6-chloro-9H-carbazol-2-yl)-2-chloro-, with the CAS registry number 114041-34-8, is also known as 9-Acetyl-6-chloro-2-(2-chloro-1-oxopropyl)-9H-carbazole. This chemical's molecular formula is C17H13Cl2NO2 and molecular weight is 334.20. What's more, its systematic name is 1-(9-acetyl-6-chloro-9H-carbazol-2-yl)-2-chloropropan-1-one. 

Physical properties of 1-Propanone, 1-(9-acetyl-6-chloro-9H-carbazol-2-yl)-2-chloro- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 908; (6)ACD/BCF (pH 7.4): 908; (7)ACD/KOC (pH 5.5): 4560; (8)ACD/KOC (pH 7.4): 4560; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 39.07 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 87.735 cm3; (15)Molar Volume: 242.969 cm3; (16)Polarizability: 34.781×10-24cm3; (17)Surface Tension: 46.493 dyne/cm; (18)Density: 1.375 g/cm3; (19)Flash Point: 228.436 °C; (20)Enthalpy of Vaporization: 71.363 kJ/mol; (21)Boiling Point: 454.107 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C(=O)c3ccc2c1cc(Cl)ccc1n(c2c3)C(=O)C)C
(2)InChI: InChI=1S/C17H13Cl2NO2/c1-9(18)17(22)11-3-5-13-14-8-12(19)4-6-15(14)20(10(2)21)16(13)7-11/h3-9H,1-2H3
(3)InChIKey: MUUAMUZKWBQPCO-UHFFFAOYSA-N