Home Other Building Blocks [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine, trifluoroacetic acid

[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine, trifluoroacetic acid

CAS No.:
1803571-67-6
Catalog Number:
AG01BGWA
Molecular Formula:
C11H10F3N3O3
Molecular Weight:
289.2106
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Product Description
Catalog Number:
AG01BGWA
Chemical Name:
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine, trifluoroacetic acid
CAS Number:
1803571-67-6
Molecular Formula:
C11H10F3N3O3
Molecular Weight:
289.2106
MDL Number:
MFCD28125280
IUPAC Name:
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H9N3O.C2HF3O2/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9;3-2(4,5)1(6)7/h1-4,6H,5,10H2;(H,6,7)
InChI Key:
TWFBAMHGPKLPMQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCc1ccc(cc1)c1nnco1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.214g/mol
Monoisotopic Mass:
289.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties