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101466-85-7

101466-85-7 | 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester

CAS No: 101466-85-7 Catalog No: AG0004JQ MDL No:MFCD09258679

Product Description

Catalog Number:
AG0004JQ
Chemical Name:
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
CAS Number:
101466-85-7
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
MDL Number:
MFCD09258679
IUPAC Name:
ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C12H11F3O2/c1-2-17-11(16)8-5-9-3-6-10(7-4-9)12(13,14)15/h3-8H,2H2,1H3
InChI Key:
AUMBJIRASKDNSF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1ccc(cc1)C(F)(F)F

Properties

Complexity:
276  
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:
3.9  

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