Cas no 5446-21-9 (Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]-)
![Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]- structure](https://ossimg.kuujia.com/scimg/5500/5446-21-9x500.png)
5446-21-9 structure
Product Name:Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]-
CAS No:5446-21-9
MF:C13H12ClNO3
MW:265.692282676697
CID:385142
PubChem ID:226580
Update Time:2025-04-19
Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]-
- (1-acetyl-4-chloro-2-methylindol-3-yl) acetate
- 1-Acetyl-4-chlor-2-methyl-indoxyl-acetat
- 1-acetyl-4-chloro-2-methyl-1h-indol-3-yl acetate
- 3-acetoxy-1-acetyl-4-chloro-2-methyl-indole
- AC1L5EVE
- AC1Q3P5X
- AG-J-36576
- AR-1C1324
- CTK5A1122
- NSC17190
- 5446-21-9
- DTXSID00280502
- NSC-17190
-
- Inchi： 1S/C13H12ClNO3/c1-7-13(18-9(3)17)12-10(14)5-4-6-11(12)15(7)8(2)16/h4-6H,1-3H3
- InChI Key： YQKYLGIDCDFUAR-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C1C(=C(C)N2C(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 265.05066
- Monoisotopic Mass: 265.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 48.3?2
Experimental Properties
- Density: 1.3
- Boiling Point: 384.4°Cat760mmHg
- Flash Point: 186.3°C
- Refractive Index: 1.587
- PSA: 48.3
- LogP: 3.18850
Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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