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139101-23-8 | Benzenepropanoic acid, α-bromo-α-fluoro-β-oxo-, ethyl ester
CAS No: 139101-23-8 Catalog No: AG001A9N MDL No:
Product Description
Catalog Number:
AG001A9N
Chemical Name:
Benzenepropanoic acid, α-bromo-α-fluoro-β-oxo-, ethyl ester
CAS Number:
139101-23-8
Molecular Formula:
C11H10BrFO3
Molecular Weight:
289.0977
IUPAC Name:
ethyl 2-bromo-2-fluoro-3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C11H10BrFO3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
GCOHYTBAQVEMLX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)(Br)F
Properties
Complexity:
276
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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