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87472-08-0 | Acetic acid, trifluoro-, (2-oxo-3-phenyl-5-oxazolidinyl)methyl ester
CAS No: 87472-08-0 Catalog No: AG004EPU MDL No:
Product Description
Catalog Number:
AG004EPU
Chemical Name:
Acetic acid, trifluoro-, (2-oxo-3-phenyl-5-oxazolidinyl)methyl ester
CAS Number:
87472-08-0
Molecular Formula:
C12H10F3NO4
Molecular Weight:
289.2073
IUPAC Name:
(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C12H10F3NO4/c13-12(14,15)10(17)19-7-9-6-16(11(18)20-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
GFQCMNPXTILBBI-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OCC1CN(C(=O)O1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.21g/mol
Monoisotopic Mass:
289.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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