Cas no 1258624-93-9 (2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid)
1258624-93-9 structure
Product Name:2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid
CAS No:1258624-93-9
MF:C14H12ClNO2
MW:261.703582763672
CID:2760950
PubChem ID:53222678
Update Time:2025-04-21
2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID80687050
- 2-CHLORO-5-(2,3-DIMETHYLPHENYL)NICOTINIC ACID
- 1258624-93-9
- MFCD18084402
- 2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid, 95%
- 2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid
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- Inchi： 1S/C14H12ClNO2/c1-8-4-3-5-11(9(8)2)10-6-12(14(17)18)13(15)16-7-10/h3-7H,1-2H3,(H,17,18)
- InChI Key： YFOWLQLGDZACSC-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C=N1)C1C=CC=C(C)C=1C
Computed Properties
- Exact Mass: 261.0556563Da
- Monoisotopic Mass: 261.0556563Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 310
- 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: 3.7
- Topological Polar Surface Area: 50.2?2
2-Chloro-5-(2,3-dimethylphenyl)nicotinic acid Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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