Cas no 948289-26-7 (6-chloro-2,8-dimethyl-quinoline-3-carboxylic acid)
948289-26-7 structure
Product Name:6-chloro-2,8-dimethyl-quinoline-3-carboxylic acid
CAS No:948289-26-7
MF:C12H10ClNO2
MW:235.666302204132
CID:867564
PubChem ID:17039988
Update Time:2025-04-19
6-chloro-2,8-dimethyl-quinoline-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2,8-dimethyl-quinoline-3-carboxylic acid
- 6-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID
- DTXSID50589133
- 948289-26-7
- MFCD09787815
- FT-0739093
- AB52301
-
- Inchi： 1S/C12H10ClNO2/c1-6-3-9(13)4-8-5-10(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16)
- InChI Key： IYKDDOVXIZQELN-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)C2C(C=1)=CC(C(=O)O)=C(C)N=2
Computed Properties
- Exact Mass: 235.04000
- Monoisotopic Mass: 235.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 284
- 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: 3.1
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- Density: 1.355
- Boiling Point: 389.6°C at 760 mmHg
- Flash Point: 189.4°C
- Refractive Index: 1.653
- PSA: 50.19000
- LogP: 3.20320
6-chloro-2,8-dimethyl-quinoline-3-carboxylic acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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