Cas no 817209-20-4 (4-Cinnolinol,3-chloro-6-methyl-)
817209-20-4 structure
Product Name:4-Cinnolinol,3-chloro-6-methyl-
CAS No:817209-20-4
MF:C9H7ClN2O
MW:194.61768078804
CID:715568
PubChem ID:45117956
Update Time:2025-04-19
4-Cinnolinol,3-chloro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Cinnolinol,3-chloro-6-methyl-
- 3-chloro-6-methyl-1H-cinnolin-4-one
- 817209-20-4
- 3-Chloro-6-methylcinnolin-4-ol
-
- Inchi： 1S/C9H7ClN2O/c1-5-2-3-7-6(4-5)8(13)9(10)12-11-7/h2-4H,1H3,(H,11,13)
- InChI Key： WJDBZSQSCQOVTP-UHFFFAOYSA-N
- SMILES： ClC1C(C2C=C(C)C=CC=2NN=1)=O
Computed Properties
- Exact Mass: 194.0246905g/mol
- Monoisotopic Mass: 194.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 264
- 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: 2.7
- Topological Polar Surface Area: 41.5?2
4-Cinnolinol,3-chloro-6-methyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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