Cas no 82140-73-6 (2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid)
82140-73-6 structure
Product Name:2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid
CAS No:82140-73-6
MF:C9H8ClNO4
MW:229.617121696472
CID:882238
PubChem ID:277830
Update Time:2025-04-19
2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-4-methoxycarbonyl-6-methylpyridine-3-carboxylic acid
- DTXSID80298903
- 82140-73-6
- NSC-126863
- NSC126863
- 2-chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid
- 2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid
-
- Inchi： 1S/C9H8ClNO4/c1-4-3-5(9(14)15-2)6(8(12)13)7(10)11-4/h3H,1-2H3,(H,12,13)
- InChI Key： XEIPETREABYTTL-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C(C(=O)OC)=CC(C)=N1
Computed Properties
- Exact Mass: 229.0141854g/mol
- Monoisotopic Mass: 229.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 271
- 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: 1.6
- Topological Polar Surface Area: 76.5?2
2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jason Wan Lab Chip, 2020,20, 4528-4538
82140-73-6 (2-Chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid) Related Products
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