Cas no 119730-01-7 (2-chloro-5-methoxy-1H-Indole)
2-chloro-5-methoxy-1H-Indole structure
Product Name:2-chloro-5-methoxy-1H-Indole
CAS No:119730-01-7
MF:C9H8ClNO
MW:181.618921279907
CID:1101414
PubChem ID:10583562
Update Time:2025-04-20
2-chloro-5-methoxy-1H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-methoxy-1H-Indole
- 119730-01-7
- CWUQGTBACPMUEV-UHFFFAOYSA-N
- DTXSID60442028
- SCHEMBL7965312
-
- Inchi： 1S/C9H8ClNO/c1-12-7-2-3-8-6(4-7)5-9(10)11-8/h2-5,11H,1H3
- InChI Key： CWUQGTBACPMUEV-UHFFFAOYSA-N
- SMILES： ClC1=CC2C=C(C=CC=2N1)OC
Computed Properties
- Exact Mass: 181.0294416g/mol
- Monoisotopic Mass: 181.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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
- Topological Polar Surface Area: 25?2
2-chloro-5-methoxy-1H-Indole Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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