Cas no 161373-47-3 (3-Cinnolinecarboxylicacid, 4-amino-7-chloro-)
161373-47-3 structure
Product Name:3-Cinnolinecarboxylicacid, 4-amino-7-chloro-
CAS No:161373-47-3
MF:C9H6ClN3O2
MW:223.615840435028
CID:194852
PubChem ID:381987
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 4-amino-7-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 4-amino-7-chloro-
- 4-Amino-7-chloro-3-cinnolinecarboxylic acid
- 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-, hydrate
- DTXSID60936518
- NSC-669311
- CHEMBL2004131
- NSC669311
- 4-amino-7-chlorocinnoline-3-carboxylic acid
- 4-Amino-7-chloro-3-cinnolinecarboxylic acid hydrate
- 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-
- 161373-47-3
- NCI60_024153
- 4-amino-7-chloro-cinnoline-3-carboxylic acid
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- Inchi： 1S/C9H6ClN3O2/c10-4-1-2-5-6(3-4)12-13-8(7(5)11)9(14)15/h1-3H,(H2,11,12)(H,14,15)
- InChI Key： BADWGFOQGQMHJZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(=C(C(=O)O)N=NC=2C=1)N
Computed Properties
- Exact Mass: 223.01498
- Monoisotopic Mass: 223.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- 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: 1.5
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- Density: 1.635
- Boiling Point: 459.1°Cat760mmHg
- Flash Point: 231.4°C
- Refractive Index: 1.761
- PSA: 89.1
3-Cinnolinecarboxylicacid, 4-amino-7-chloro- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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