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Home > Bromides > 1094546-44-7
1094546-44-7 | Ethyl 3-(4-bromo-2-fluoro-phenoxy)propanoate
CAS No: 1094546-44-7 Catalog No: AG01FAJL MDL No:
Product Description
Catalog Number:
AG01FAJL
Chemical Name:
Ethyl 3-(4-bromo-2-fluoro-phenoxy)propanoate
CAS Number:
1094546-44-7
Molecular Formula:
C11H12BrFO3
Molecular Weight:
291.1136
IUPAC Name:
ethyl 3-(4-bromo-2-fluorophenoxy)propanoate
InChI:
InChI=1S/C11H12BrFO3/c1-2-15-11(14)5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChI Key:
GNZMVALFFQUBAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc(cc1F)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.116g/mol
Monoisotopic Mass:
289.995g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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