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Home > Bromides > 1443321-83-2
1443321-83-2 | Ethyl 5-(4-bromo-3-fluoro-phenoxy)pentanoate
CAS No: 1443321-83-2 Catalog No: AG01FAP5 MDL No:
Product Description
Catalog Number:
AG01FAP5
Chemical Name:
Ethyl 5-(4-bromo-3-fluoro-phenoxy)pentanoate
CAS Number:
1443321-83-2
Molecular Formula:
C13H16BrFO3
Molecular Weight:
319.1667
IUPAC Name:
ethyl 5-(4-bromo-3-fluorophenoxy)pentanoate
InChI:
InChI=1S/C13H16BrFO3/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:
NJONHLJFHGRSMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(c(c1)F)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.17g/mol
Monoisotopic Mass:
318.027g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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