Cas no 59022-69-4 (1H-Indole-3-acetylchloride, 7-methyl-a-oxo-)
59022-69-4 structure
Product Name:1H-Indole-3-acetylchloride, 7-methyl-a-oxo-
CAS No:59022-69-4
MF:C11H8ClNO2
MW:221.639721870422
CID:366759
PubChem ID:12297098
Update Time:2025-04-19
1H-Indole-3-acetylchloride, 7-methyl-a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-acetylchloride, 7-methyl-a-oxo-
- 2-(7-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
- (7-Methylindole)-3-glyoxylylchloride
- 1H-Indole-3-acetylchloride,7-methyl-a-oxo
- 2-(7-methyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl chloride
- 2-(7-methyl-1H-indol-3-yl)-2-oxo-acetyl chloride
- A832114
- DTXSID40485736
- 59022-69-4
-
- MDL： MFCD10565810
- Inchi： 1S/C11H8ClNO2/c1-6-3-2-4-7-8(5-13-9(6)7)10(14)11(12)15/h2-5,13H,1H3
- InChI Key： GKWQILOPRWVNTD-UHFFFAOYSA-N
- SMILES： ClC(C(C1=CNC2C(C)=CC=CC=21)=O)=O
Computed Properties
- Exact Mass: 221.02400
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 292
- 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: 2.8
- Topological Polar Surface Area: 49.9?2
Experimental Properties
- PSA: 49.93000
- LogP: 2.42440
1H-Indole-3-acetylchloride, 7-methyl-a-oxo- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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