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Home > Fluorides > 139297-39-5
139297-39-5 | 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
CAS No: 139297-39-5 Catalog No: AG001AON MDL No:
Product Description
Catalog Number:
AG001AON
Chemical Name:
3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
CAS Number:
139297-39-5
Molecular Formula:
C13H13FN2O2
Molecular Weight:
248.2529
IUPAC Name:
N-(2,6-dimethylphenyl)-5-(fluoromethyl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C13H13FN2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(7-14)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)
InChI Key:
FOBVPHBKEWUUDT-UHFFFAOYSA-N
SMILES:
FCc1onc(c1)C(=O)Nc1c(C)cccc1C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.257g/mol
Monoisotopic Mass:
248.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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