Ethanone,1-[3-(acet...

Ethanone,1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]- 5446-24-2

Ethanone,1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]- 5446-24-2

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  • Purity: 99%
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Ethanone,1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]- 5446-24-2 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:By sea or by air

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Details:

【Name】
Ethanone,1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]-
【Iupac name】
(1-acetyl-6-chloro-2-methylindol-3-yl) acetate
【CAS Registry number】
5446-24-2
【Synonyms】
1H-Indol-3-ol,1-acetyl-6-chloro-2-methyl-, acetate (ester) (9CI)
Indol-3-ol,1-acetyl-6-chloro-2-methyl-, acetate (7CI)
NSC 17193
【Molecular Formula】
C13H12 Cl N O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C13H12ClNO3/c1-7-13(18-9(3)17)11-5-4-10(14)6-12(11)15(7)8(2)16/h4-6H,1-3H3
【Canonical SMILES】
CC1=C(C2=C(N1C(=O)C)C=C(C=C2)Cl)OC(=O)C
【MOL File】
5446-24-2.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
384.4°C at 760 mmHg
【Refractive Index】
1.587
【Flash Point】
186.3°C
【Computed Properties】
Molecular Weight:265.69228 [g/mol]
Molecular Formula:C13H12ClNO3
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:265.050571
MonoIsotopic Mass:265.050571
Topological Polar Surface Area:48.3
Heavy Atom Count:18
Formal Charge:0
Complexity:360
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:18

 

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