Home Halogens ethyl (2E)-3-chloro-2-cyano-4,4,4-trifluorobut-2- enoate

ethyl (2E)-3-chloro-2-cyano-4,4,4-trifluorobut-2- enoate

CAS No.:
77429-04-0
Catalog Number:
AG00GGTU
Molecular Formula:
C7H5ClF3NO2
Molecular Weight:
227.5683
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Product Description
Catalog Number:
AG00GGTU
Chemical Name:
ethyl (2E)-3-chloro-2-cyano-4,4,4-trifluorobut-2- enoate
CAS Number:
77429-04-0
Molecular Formula:
C7H5ClF3NO2
Molecular Weight:
227.5683
MDL Number:
MFCD17676995
IUPAC Name:
ethyl (Z)-3-chloro-2-cyano-4,4,4-trifluorobut-2-enoate
InChI:
InChI=1S/C7H5ClF3NO2/c1-2-14-6(13)4(3-12)5(8)7(9,10)11/h2H2,1H3/b5-4-
InChI Key:
QPMJENKZJUFOON-PLNGDYQASA-N
SMILES:
CCOC(=O)C(=C(C(F)(F)F)Cl)C#N
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
226.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.567g/mol
Monoisotopic Mass:
226.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties