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75706-12-6 | Leflunomide
CAS No: 75706-12-6 Catalog No: AG005IU1 MDL No:MFCD00867593
Product Description
Catalog Number:
AG005IU1
Chemical Name:
Leflunomide
CAS Number:
75706-12-6
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
MDL Number:
MFCD00867593
IUPAC Name:
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChI Key:
VHOGYURTWQBHIL-UHFFFAOYSA-N
SMILES:
O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F
UNII:
G162GK9U4W
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.211g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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