Cas no 7164-92-3 (3-chloro-2-methyl-1H-Indole)
3-chloro-2-methyl-1H-Indole structure
Product Name:3-chloro-2-methyl-1H-Indole
CAS No:7164-92-3
MF:C9H8ClN
MW:165.619521141052
CID:1116505
PubChem ID:12662833
Update Time:2025-04-20
3-chloro-2-methyl-1H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-2-methyl-1H-Indole
- DTXSID20506079
- SCHEMBL3228523
- AKOS006304274
- AB56055
- 7164-92-3
-
- Inchi： 1S/C9H8ClN/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3
- InChI Key： SALPESUBRHVBPM-UHFFFAOYSA-N
- SMILES： ClC1=C(C)NC2C=CC=CC=21
Computed Properties
- Exact Mass: 165.0345270g/mol
- Monoisotopic Mass: 165.0345270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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: 3.1
- Topological Polar Surface Area: 15.8?2
3-chloro-2-methyl-1H-Indole Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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