Cas no 918823-54-8 (4-Methyl-2-(trichloromethyl)-1,3-oxazole)
918823-54-8 structure
Product Name:4-Methyl-2-(trichloromethyl)-1,3-oxazole
CAS No:918823-54-8
MF:C5H4Cl3NO
MW:200.450358390808
CID:770159
Update Time:2023-08-03
4-Methyl-2-(trichloromethyl)-1,3-oxazole Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 4-methyl-2-(trichloromethyl)-
- 4-methyl-2-(trichloromethyl)-1,3-oxazole
- 2-Trichloromethyl-4-methyloxazole
- 4-Methyl-2-(trichloromethyl)-1,3-oxazole
-
- Inchi： 1S/C5H4Cl3NO/c1-3-2-10-4(9-3)5(6,7)8/h2H,1H3
- InChI Key： LNPIDOVIUNRWPR-UHFFFAOYSA-N
- SMILES： ClC(C1=NC(C)=CO1)(Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 125
- Topological Polar Surface Area: 26
4-Methyl-2-(trichloromethyl)-1,3-oxazole Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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