Home Other Building Blocks ethyl 2-(trifluoromethyl)but-2-enoate

ethyl 2-(trifluoromethyl)but-2-enoate

CAS No.:
1215018-51-1
Catalog Number:
AG01C555
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
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Product Description
Catalog Number:
AG01C555
Chemical Name:
ethyl 2-(trifluoromethyl)but-2-enoate
CAS Number:
1215018-51-1
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD30497468
IUPAC Name:
ethyl 2-(trifluoromethyl)but-2-enoate
InChI:
InChI=1S/C7H9F3O2/c1-3-5(7(8,9)10)6(11)12-4-2/h3H,4H2,1-2H3
InChI Key:
QLZTYFICDNPHAU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC)C(F)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties