Home Other Building Blocks 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline

CAS No.:
951806-14-7
Catalog Number:
AG01A9RV
Molecular Formula:
C9H6F3N3O
Molecular Weight:
229.1586
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Product Description
Catalog Number:
AG01A9RV
Chemical Name:
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline
CAS Number:
951806-14-7
Molecular Formula:
C9H6F3N3O
Molecular Weight:
229.1586
MDL Number:
MFCD12191347
IUPAC Name:
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline
InChI:
InChI=1S/C9H6F3N3O/c10-9(11,12)8-14-7(15-16-8)5-1-3-6(13)4-2-5/h1-4H,13H2
InChI Key:
PXUUTRRMFPULDM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1noc(n1)C(F)(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.162g/mol
Monoisotopic Mass:
229.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties