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1020058-47-2 | Benzenepropanoic acid, 5-bromo-2-fluoro-β-oxo-, ethyl ester
CAS No: 1020058-47-2 Catalog No: AG0006B5 MDL No:
Product Description
Catalog Number:
AG0006B5
Chemical Name:
Benzenepropanoic acid, 5-bromo-2-fluoro-β-oxo-, ethyl ester
CAS Number:
1020058-47-2
Molecular Formula:
C11H10BrFO3
Molecular Weight:
289.0977
IUPAC Name:
ethyl 3-(5-bromo-2-fluorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3
InChI Key:
XODIHCQWLRSGQI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(Br)ccc1F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.1g/mol
Monoisotopic Mass:
287.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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