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1443353-84-1 | Ethyl 4-(2,4-difluoro-phenoxy)butanoate
CAS No: 1443353-84-1 Catalog No: AG01FCFF MDL No:
Product Description
Catalog Number:
AG01FCFF
Chemical Name:
Ethyl 4-(2,4-difluoro-phenoxy)butanoate
CAS Number:
1443353-84-1
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
IUPAC Name:
ethyl 4-(2,4-difluorophenoxy)butanoate
InChI:
InChI=1S/C12H14F2O3/c1-2-16-12(15)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3
InChI Key:
VNACIAPXRFMZTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.238g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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