Cas no 169126-00-5 (2-chloro-7-ethyl-quinoline-3-carbaldehyde)
169126-00-5 structure
Product Name:2-chloro-7-ethyl-quinoline-3-carbaldehyde
CAS No:169126-00-5
MF:C12H10ClNO
MW:219.666902065277
CID:867560
PubChem ID:17039816
Update Time:2025-04-19
2-chloro-7-ethyl-quinoline-3-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-7-ethyl-quinoline-3-carbaldehyde
- 2-chloro-7-ethylquinoline-3-carbaldehyde
- 2-CHLORO-7-ETHYLQUINOLINE-3-CARBOXALDEHYDE
- 3-Quinolinecarboxaldehyde,2-chloro-7-ethyl
-
- Inchi： 1S/C12H10ClNO/c1-2-8-3-4-9-6-10(7-15)12(13)14-11(9)5-8/h3-7H,2H2,1H3
- InChI Key： QJGNUBYABNVQKB-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)C=C2C=CC(=CC2=N1)CC
Computed Properties
- Exact Mass: 219.04500
- Monoisotopic Mass: 219.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 3.4
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96000
- LogP: 3.26310
2-chloro-7-ethyl-quinoline-3-carbaldehyde Related Literature
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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