Home Fluorides 10075-06-6
10075-06-6,MFCD28714602
Catalog No.:AA0002PV
10075-06-6 | 2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester
Pack Size
Purity
Availability
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Quantity
  
250mg
95.0%
3 weeks  
$417.00   $292.00
- +
500mg
95.0%
3 weeks  
$736.00   $515.00
- +
1g
95.0%
3 weeks  
$925.00   $648.00
- +
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Technical Information
Catalog Number:
AA0002PV
Chemical Name:
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester
CAS Number:
10075-06-6
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
MDL Number:
MFCD28714602
IUPAC Name:
ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate
InChI:
InChI=1S/C12H11F3O2/c1-2-17-11(16)8-10(12(13,14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
SNOHGJYJJUSAKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(F)(F)F)c1ccccc1
Properties
Computed Properties
 
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.7  

Synonyms
 
ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate 
10075-06-6 
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester, (2Z)- 
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester, (E)- 
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester 
CTK0G8657 
CTK1F5081 
CTK1F5082 
56210-74-3 
56210-75-4 
AKOS033023186 
Z1074628852 
Literature
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