Home Carboxys ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate

ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate

CAS No.:
1118787-87-3
Catalog Number:
AG019UHR
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
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Product Description
Catalog Number:
AG019UHR
Chemical Name:
ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate
CAS Number:
1118787-87-3
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
MDL Number:
MFCD11857839
IUPAC Name:
ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate
InChI:
InChI=1S/C9H7F3N2O3/c1-2-16-8(15)5-4(3-13)7(14)17-6(5)9(10,11)12/h2,14H2,1H3
InChI Key:
JVPDMOYDBMWBBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C#N)c(oc1C(F)(F)F)N
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.161g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties