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Home > Fluorides > 1443328-91-3
1443328-91-3 | Ethyl 4-(3,4,5-trifluoro-phenoxy)butanoate
CAS No: 1443328-91-3 Catalog No: AG01FBBS MDL No:
Product Description
Catalog Number:
AG01FBBS
Chemical Name:
Ethyl 4-(3,4,5-trifluoro-phenoxy)butanoate
CAS Number:
1443328-91-3
Molecular Formula:
C12H13F3O3
Molecular Weight:
262.2250
IUPAC Name:
ethyl 4-(3,4,5-trifluorophenoxy)butanoate
InChI:
InChI=1S/C12H13F3O3/c1-2-17-11(16)4-3-5-18-8-6-9(13)12(15)10(14)7-8/h6-7H,2-5H2,1H3
InChI Key:
CMCHUTMPKWWGNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cc(F)c(c(c1)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:
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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