Home Other Building Blocks 1-(1,2,4-oxadiazol-5-yl)-2-phenylethan-1-amine, trifluoroacetic acid

1-(1,2,4-oxadiazol-5-yl)-2-phenylethan-1-amine, trifluoroacetic acid

CAS No.:
1955557-04-6
Catalog Number:
AG01C5PZ
Molecular Formula:
C12H12F3N3O3
Molecular Weight:
303.2372
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Product Description
Catalog Number:
AG01C5PZ
Chemical Name:
1-(1,2,4-oxadiazol-5-yl)-2-phenylethan-1-amine, trifluoroacetic acid
CAS Number:
1955557-04-6
Molecular Formula:
C12H12F3N3O3
Molecular Weight:
303.2372
MDL Number:
MFCD29991472
IUPAC Name:
1-(1,2,4-oxadiazol-5-yl)-2-phenylethanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H11N3O.C2HF3O2/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,7,9H,6,11H2;(H,6,7)
InChI Key:
MGRSDISKBVFRSN-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC(c1ncno1)Cc1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.241g/mol
Monoisotopic Mass:
303.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties