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1443350-05-7 | Ethyl 5-(3,5-difluoro-phenoxy)propanoate
CAS No: 1443350-05-7 Catalog No: AG01FC33 MDL No:
Product Description
Catalog Number:
AG01FC33
Chemical Name:
Ethyl 5-(3,5-difluoro-phenoxy)propanoate
CAS Number:
1443350-05-7
Molecular Formula:
C13H16F2O3
Molecular Weight:
258.2611
IUPAC Name:
ethyl 5-(3,5-difluorophenoxy)pentanoate
InChI:
InChI=1S/C13H16F2O3/c1-2-17-13(16)5-3-4-6-18-12-8-10(14)7-11(15)9-12/h7-9H,2-6H2,1H3
InChI Key:
NZSINWJIRUQLIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1cc(F)cc(c1)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.265g/mol
Monoisotopic Mass:
258.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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