Cas no 138565-77-2 (6-chloro-1-methyl-9H-Pyrido[3,4-b]indole)
138565-77-2 structure
Product Name:6-chloro-1-methyl-9H-Pyrido[3,4-b]indole
CAS No:138565-77-2
MF:C12H9ClN2
MW:216.666261434555
CID:1105600
PubChem ID:12073740
Update Time:2025-04-20
6-chloro-1-methyl-9H-Pyrido[3,4-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-1-methyl-9H-Pyrido[3,4-b]indole
- XFGZWYHJSZBHTP-UHFFFAOYSA-
- InChI=1/C12H9ClN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
- DB-359358
- SCHEMBL5268682
- 138565-77-2
-
- Inchi: 1S/C12H9ClN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
- InChI Key: XFGZWYHJSZBHTP-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)C1C=CN=C(C)C=1N2
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: 4.2
- Topological Polar Surface Area: 28.7?2
6-chloro-1-methyl-9H-Pyrido[3,4-b]indole Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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