Cas no 1261769-12-3 (Methyl 5-chloro-4-methylnicotinate)
1261769-12-3 structure
Product Name:Methyl 5-chloro-4-methylnicotinate
CAS No:1261769-12-3
MF:C8H8ClNO2
MW:185.607621192932
CID:1089445
PubChem ID:73554287
Update Time:2025-04-20
Methyl 5-chloro-4-methylnicotinate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-chloro-4-methylnicotinate
- methyl 5-chloro-4-methylpyridine-3-carboxylate
- 1261769-12-3
- AT32633
- SCHEMBL14893447
-
- Inchi： 1S/C8H8ClNO2/c1-5-6(8(11)12-2)3-10-4-7(5)9/h3-4H,1-2H3
- InChI Key： UDKQGNJLYLYNOS-UHFFFAOYSA-N
- SMILES： ClC1=CN=CC(C(=O)OC)=C1C
Computed Properties
- Exact Mass: 185.0243562g/mol
- Monoisotopic Mass: 185.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 1.7
- Topological Polar Surface Area: 39.2?2
Methyl 5-chloro-4-methylnicotinate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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