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191155-80-3 | Benzenepropanoic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No: 191155-80-3 Catalog No: AG002F2M MDL No:MFCD07772963
Product Description
Catalog Number:
AG002F2M
Chemical Name:
Benzenepropanoic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number:
191155-80-3
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD07772963
IUPAC Name:
ethyl 3-[2-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C12H13F3O2/c1-2-17-11(16)8-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,2,7-8H2,1H3
InChI Key:
OWXNROJGHAWLEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccccc1C(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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