Cas no 948294-19-7 (5-chloro-8-methyl-quinoline-2,3-dicarboxylic acid)
948294-19-7 structure
Product Name:5-chloro-8-methyl-quinoline-2,3-dicarboxylic acid
CAS No:948294-19-7
MF:C12H8ClNO4
MW:265.649222373962
CID:870560
PubChem ID:17039949
Update Time:2025-04-19
5-chloro-8-methyl-quinoline-2,3-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-8-methyl-quinoline-2,3-dicarboxylic acid
- 5-CHLORO-8-METHYLQUINOLINE-2,3-DICARBOXYLIC ACID
- 948294-19-7
- FT-0707856
- AB52238
- DTXSID80589106
- MFCD09787787
-
- Inchi： 1S/C12H8ClNO4/c1-5-2-3-8(13)6-4-7(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18)
- InChI Key： OACYTXMHYQXITK-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C)C2C1=CC(C(=O)O)=C(C(=O)O)N=2
Computed Properties
- Exact Mass: 265.01400
- Monoisotopic Mass: 265.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 362
- 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: 2.6
- Topological Polar Surface Area: 87.5?2
Experimental Properties
- PSA: 87.49000
- LogP: 2.59300
5-chloro-8-methyl-quinoline-2,3-dicarboxylic acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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