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126535-87-3 | Propanoic acid, 2-(benzoylimino)-3,3,3-trifluoro-, ethyl ester
CAS No: 126535-87-3 Catalog No: AG000SWS MDL No:
Product Description
Catalog Number:
AG000SWS
Chemical Name:
Propanoic acid, 2-(benzoylimino)-3,3,3-trifluoro-, ethyl ester
CAS Number:
126535-87-3
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
IUPAC Name:
ethyl 2-benzoylimino-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C12H10F3NO3/c1-2-19-11(18)9(12(13,14)15)16-10(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
PWLNIUJQIYJXPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NC(=O)c1ccccc1)C(F)(F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.211g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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