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Home > Fluorides > 831191-79-8
831191-79-8 | 5(4H)-Oxazolone, 4-[(2,4-difluorophenyl)methylene]-2-methyl-
CAS No: 831191-79-8 Catalog No: AG0051KC MDL No:
Product Description
Catalog Number:
AG0051KC
Chemical Name:
5(4H)-Oxazolone, 4-[(2,4-difluorophenyl)methylene]-2-methyl-
CAS Number:
831191-79-8
Molecular Formula:
C11H7F2NO2
Molecular Weight:
223.1756
IUPAC Name:
4-[(2,4-difluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C11H7F2NO2/c1-6-14-10(11(15)16-6)4-7-2-3-8(12)5-9(7)13/h2-5H,1H3
InChI Key:
OMPNCCVEPLPBEJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C=C1N=C(OC1=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.179g/mol
Monoisotopic Mass:
223.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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