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114701-62-1 | Benzenepropanoic acid, α,α-difluoro-β-oxo-, ethyl ester
CAS No: 114701-62-1 Catalog No: AG000F35 MDL No:
Product Description
Catalog Number:
AG000F35
Chemical Name:
Benzenepropanoic acid, α,α-difluoro-β-oxo-, ethyl ester
CAS Number:
114701-62-1
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
IUPAC Name:
ethyl 2,2-difluoro-3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C11H10F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
DCGGVYJJQIYTNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)(F)F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.195g/mol
Monoisotopic Mass:
228.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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