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179381-93-2 | Benzenepropanoic acid, 3-(trifluoromethoxy)-, ethyl ester
CAS No: 179381-93-2 Catalog No: AG0026YU MDL No:
Product Description
Catalog Number:
AG0026YU
Chemical Name:
Benzenepropanoic acid, 3-(trifluoromethoxy)-, ethyl ester
CAS Number:
179381-93-2
Molecular Formula:
C12H13F3O3
Molecular Weight:
262.2250
IUPAC Name:
ethyl 3-[3-(trifluoromethoxy)phenyl]propanoate
InChI:
InChI=1S/C12H13F3O3/c1-2-17-11(16)7-6-9-4-3-5-10(8-9)18-12(13,14)15/h3-5,8H,2,6-7H2,1H3
InChI Key:
OMEFIGMPNVNUCD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.228g/mol
Monoisotopic Mass:
262.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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