Home Aminos ethyl 2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate

ethyl 2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate

CAS No.:
1181459-03-9
Catalog Number:
AG019VDK
Molecular Formula:
C13H12F2N2O3
Molecular Weight:
282.2428
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Product Description
Catalog Number:
AG019VDK
Chemical Name:
ethyl 2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate
CAS Number:
1181459-03-9
Molecular Formula:
C13H12F2N2O3
Molecular Weight:
282.2428
MDL Number:
MFCD12197132
IUPAC Name:
ethyl 2-cyano-3-[4-(difluoromethoxy)anilino]prop-2-enoate
InChI:
InChI=1S/C13H12F2N2O3/c1-2-19-12(18)9(7-16)8-17-10-3-5-11(6-4-10)20-13(14)15/h3-6,8,13,17H,2H2,1H3
InChI Key:
LMOXYQZLDSIJAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccc(cc1)OC(F)F)C#N
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.082g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.247g/mol
Monoisotopic Mass:
282.082g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.7  
Properties