Cas no 159730-25-3 (1H-Indole-3-carbonylchloride, 5,6-dimethyl-)
159730-25-3 structure
Product Name:1H-Indole-3-carbonylchloride, 5,6-dimethyl-
CAS No:159730-25-3
MF:C11H10ClNO
MW:207.656201839447
CID:109322
PubChem ID:45081910
Update Time:2025-04-18
1H-Indole-3-carbonylchloride, 5,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carbonylchloride, 5,6-dimethyl-
- 5,6-dimethyl-1H-indole-3-carbonyl chloride
- 1H-Indole-3-carbonyl chloride, 5,6-dimethyl- (9CI)
- DTXSID40664943
- 5,6-dimethyl-1h-indole-3-carbonylchloride
- SCHEMBL3056779
- 159730-25-3
-
- Inchi： 1S/C11H10ClNO/c1-6-3-8-9(11(12)14)5-13-10(8)4-7(6)2/h3-5,13H,1-2H3
- InChI Key： BIALUESMEDVWOQ-UHFFFAOYSA-N
- SMILES： ClC(C1=CNC2C=C(C)C(C)=CC=21)=O
Computed Properties
- Exact Mass: 207.0452
- Monoisotopic Mass: 207.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 243
- 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: 3.3
- Topological Polar Surface Area: 32.9A^2
Experimental Properties
- PSA: 32.86
1H-Indole-3-carbonylchloride, 5,6-dimethyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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