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CAS 368426-87-3

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Carbamic acid, [(3-cyano-4-fluorophenyl)methyl]-, 1,1-dimethylethyl ester

Description:
Carbamic acid, [(3-cyano-4-fluorophenyl)methyl]-, 1,1-dimethylethyl ester, identified by CAS number 368426-87-3, is an organic compound characterized by its carbamate functional group. This compound features a cyano group and a fluorinated aromatic ring, which contribute to its unique chemical properties. The presence of the 1,1-dimethylethyl ester moiety enhances its stability and lipophilicity, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. The cyano and fluorine substituents can influence the compound's reactivity and biological activity, potentially affecting its interaction with biological targets. As with many carbamates, it may exhibit moderate toxicity and should be handled with care. The compound's structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which could be relevant in its behavior in different environments. Overall, this compound's unique functional groups and structural features make it an interesting subject for further study in both synthetic and applied chemistry contexts.
Formula:C13H15FN2O2
InChI:InChI=1S/C13H15FN2O2/c1-13(2,3)18-12(17)16-8-9-4-5-11(14)10(6-9)7-15/h4-6H,8H2,1-3H3,(H,16,17)
InChI key:InChIKey=HEDMPZQMCNKDNT-UHFFFAOYSA-N
SMILES:C(NC(OC(C)(C)C)=O)C1=CC(C#N)=C(F)C=C1
Synonyms:
  • Carbamic acid, [(3-cyano-4-fluorophenyl)methyl]-, 1,1-dimethylethyl ester
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