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1443342-43-5 | Ethyl 5-(4-chloro-3-fluoro-phenoxy)pentanoate
CAS No: 1443342-43-5 Catalog No: AG01FAF4 MDL No:
Product Description
Catalog Number:
AG01FAF4
Chemical Name:
Ethyl 5-(4-chloro-3-fluoro-phenoxy)pentanoate
CAS Number:
1443342-43-5
Molecular Formula:
C13H16ClFO3
Molecular Weight:
274.7157
IUPAC Name:
ethyl 5-(4-chloro-3-fluorophenoxy)pentanoate
InChI:
InChI=1S/C13H16ClFO3/c1-2-17-13(16)5-3-4-8-18-10-6-7-11(14)12(15)9-10/h6-7,9H,2-5,8H2,1H3
InChI Key:
SHGXFTCAUXENQD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(c(c1)F)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.716g/mol
Monoisotopic Mass:
274.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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