Cas no 876-75-5 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 8-chloro-1H-cinnolin-4-one
- HP2797MXU8
- NSC114053
- 8-chlorocinnolin-4(1h)-one
- 876-75-5
- NSC-114053
- F96788
- 4-Cinnolinol, 8-chloro-
- NSC 114053
- DTXSID20236506
- SCHEMBL17127934
- 8-chlorocinnolin-4-ol
- 8-Chloro-4-cinnolinol
- UNII-HP2797MXU8
-
-
- Inchi： 1S/C8H5ClN2O/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
- InChI Key： GMYPULZDCCEDSA-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2C(C=NNC=21)=O
Computed Properties
- Exact Mass: 180.009
- Monoisotopic Mass: 180.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 229
- 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: 1.9
- Topological Polar Surface Area: 41.5?2
Experimental Properties
- Density: 1.5
- Boiling Point: 327.4°C at 760 mmHg
- Flash Point: 151.8°C
- Refractive Index: 1.688
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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