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Home > Bromides > 1251459-19-4
1251459-19-4 | Ethyl 4-(3-bromo-5,6-difluoro-phenoxy)butanoate
CAS No: 1251459-19-4 Catalog No: AG01F9SC MDL No:
Product Description
Catalog Number:
AG01F9SC
Chemical Name:
Ethyl 4-(3-bromo-5,6-difluoro-phenoxy)butanoate
CAS Number:
1251459-19-4
Molecular Formula:
C12H13BrF2O3
Molecular Weight:
323.1306
IUPAC Name:
ethyl 4-(5-bromo-2,3-difluorophenoxy)butanoate
InChI:
InChI=1S/C12H13BrF2O3/c1-2-17-11(16)4-3-5-18-10-7-8(13)6-9(14)12(10)15/h6-7H,2-5H2,1H3
InChI Key:
HTDMIWLEYPNYQZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cc(Br)cc(c1F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.134g/mol
Monoisotopic Mass:
322.002g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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