Cas no 948291-76-7 (2-chloro-7-ethyl-quinoline-3-carbonitrile)
948291-76-7 structure
Product Name:2-chloro-7-ethyl-quinoline-3-carbonitrile
CAS No:948291-76-7
MF:C12H9ClN2
MW:216.666261434555
CID:867561
PubChem ID:17039815
Update Time:2025-04-19
2-chloro-7-ethyl-quinoline-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-7-ethyl-quinoline-3-carbonitrile
- 2-CHLORO-7-ETHYLQUINOLINE-3-CARBONITRILE
- MFCD09787677
- DTXSID80589000
- 948291-76-7
- AB51965
-
- Inchi： 1S/C12H9ClN2/c1-2-8-3-4-9-6-10(7-14)12(13)15-11(9)5-8/h3-6H,2H2,1H3
- InChI Key： WIDWCJZNGUTALW-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C=C2C=CC(=CC2=N1)CC
Computed Properties
- Exact Mass: 216.04500
- Monoisotopic Mass: 216.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 3.7
- Topological Polar Surface Area: 36.7?2
Experimental Properties
- PSA: 36.68000
- LogP: 3.32228
2-chloro-7-ethyl-quinoline-3-carbonitrile Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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