Cas no 267666-66-0 (1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole)
267666-66-0 structure
Product Name:1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole
CAS No:267666-66-0
MF:C12H9ClN2O
MW:232.66566157341
CID:1110111
PubChem ID:10489774
Update Time:2025-04-20
1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole Chemical and Physical Properties
Names and Identifiers
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- 1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole
- 267666-66-0
- DB-354421
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- Inchi: 1S/C12H9ClN2O/c1-16-7-2-3-8-10(6-7)15-9-4-5-14-12(13)11(8)9/h2-6,15H,1H3
- InChI Key: MRQNBYMGNUXDHW-UHFFFAOYSA-N
- SMILES: ClC1C2=C(C=CN=1)NC1C=C(C=CC=12)OC
Computed Properties
- Exact Mass: 232.0403406g/mol
- Monoisotopic Mass: 232.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 263
- 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: 3.2
- Topological Polar Surface Area: 37.9?2
1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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