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Home Other Building Blocks 2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester

2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester

CAS No.:
1513-60-6
Catalog Number:
AG001N9Q
Molecular Formula:
C7H6F6O2
Molecular Weight:
236.1118
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Product Description
Catalog Number:
AG001N9Q
Chemical Name:
2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester
CAS Number:
1513-60-6
Molecular Formula:
C7H6F6O2
Molecular Weight:
236.1118
MDL Number:
MFCD00041517
IUPAC Name:
ethyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate
InChI:
InChI=1S/C7H6F6O2/c1-2-15-5(14)3-4(6(8,9)10)7(11,12)13/h3H,2H2,1H3
InChI Key:
CULZFNOUPBWSIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.027g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.113g/mol
Monoisotopic Mass:
236.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties