Cas no 25462-90-2 (ethyl 2-broMo-6-Methylisonicotinate)
25462-90-2 structure
Product Name:ethyl 2-broMo-6-Methylisonicotinate
CAS No:25462-90-2
MF:C9H10BrNO2
MW:244.085201740265
CID:2116123
Update Time:2023-11-19
ethyl 2-broMo-6-Methylisonicotinate Chemical and Physical Properties
Names and Identifiers
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- ethyl 2-bromo-6-methylpyridine-4-carboxylate
- COYYSMAYSSRSFU-UHFFFAOYSA-N
- ethyl 2-bromo-6-methylisonicotinate
- 4-Pyridinecarboxylic acid, 2-bromo-6-methyl-, ethyl ester
- CID 89810838
- ethyl 2-broMo-6-Methylisonicotinate
-
- Inchi: 1S/C9H10BrNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
- InChI Key: COYYSMAYSSRSFU-UHFFFAOYSA-N
- SMILES: BrC1=CC(C(=O)OCC)=CC(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 187
- Topological Polar Surface Area: 39.2
ethyl 2-broMo-6-Methylisonicotinate Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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