Home Other Building Blocks ethyl 2-cyano-2,2-difluoroacetate

ethyl 2-cyano-2,2-difluoroacetate

CAS No.:
219866-72-5
Catalog Number:
AG01BGOC
Molecular Formula:
C5H5F2NO2
Molecular Weight:
149.0955
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Product Description
Catalog Number:
AG01BGOC
Chemical Name:
ethyl 2-cyano-2,2-difluoroacetate
CAS Number:
219866-72-5
Molecular Formula:
C5H5F2NO2
Molecular Weight:
149.0955
MDL Number:
MFCD25989269
IUPAC Name:
ethyl 2-cyano-2,2-difluoroacetate
InChI:
InChI=1S/C5H5F2NO2/c1-2-10-4(9)5(6,7)3-8/h2H2,1H3
InChI Key:
UZLFSAIEQNZPEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C#N)(F)F
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.029g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.097g/mol
Monoisotopic Mass:
149.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties