Cas no 18203-05-9 (3-chloro-1-methyl-9H-Pyrido[3,4-b]indole)
![3-chloro-1-methyl-9H-Pyrido[3,4-b]indole structure](https://ossimg.kuujia.com/scimg/18500/18203-05-9x500.png)
18203-05-9 structure
Product Name:3-chloro-1-methyl-9H-Pyrido[3,4-b]indole
CAS No:18203-05-9
MF:C12H9ClN2
MW:216.666261434555
CID:1108049
PubChem ID:91665996
Update Time:2025-04-20
3-chloro-1-methyl-9H-Pyrido[3,4-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-1-methyl-9H-Pyrido[3,4-b]indole
- 18203-05-9
- DB-356895
-
- Inchi： 1S/C12H9ClN2/c1-7-12-9(6-11(13)14-7)8-4-2-3-5-10(8)15-12/h2-6,15H,1H3
- InChI Key： WWWFBDIJINPWKP-UHFFFAOYSA-N
- SMILES： ClC1=CC2C3C=CC=CC=3NC=2C(C)=N1
Computed Properties
- Exact Mass: 216.0454260g/mol
- Monoisotopic Mass: 216.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 246
- 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: 3.7
- Topological Polar Surface Area: 28.7?2
3-chloro-1-methyl-9H-Pyrido[3,4-b]indole Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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