Home Other Building Blocks 1-(1,3-benzoxazol-2-yl)-2-phenylethan-1-amine, trifluoroacetic acid

1-(1,3-benzoxazol-2-yl)-2-phenylethan-1-amine, trifluoroacetic acid

CAS No.:
1864054-39-6
Catalog Number:
AG01AUHZ
Molecular Formula:
C17H15F3N2O3
Molecular Weight:
352.3078
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Product Description
Catalog Number:
AG01AUHZ
Chemical Name:
1-(1,3-benzoxazol-2-yl)-2-phenylethan-1-amine, trifluoroacetic acid
CAS Number:
1864054-39-6
Molecular Formula:
C17H15F3N2O3
Molecular Weight:
352.3078
MDL Number:
MFCD12151097
IUPAC Name:
1-(1,3-benzoxazol-2-yl)-2-phenylethanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C15H14N2O.C2HF3O2/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15;3-2(4,5)1(6)7/h1-9,12H,10,16H2;(H,6,7)
InChI Key:
UOSALVWFFZVSKG-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC(c1nc2c(o1)cccc2)Cc1ccccc1
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.103g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.313g/mol
Monoisotopic Mass:
352.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties