Home Other Building Blocks 4-(1H-imidazol-1-yl)-2-(trifluoromethyl)aniline

4-(1H-imidazol-1-yl)-2-(trifluoromethyl)aniline

CAS No.:
926202-49-5
Catalog Number:
AG019V1T
Molecular Formula:
C10H8F3N3
Molecular Weight:
227.1858
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Product Description
Catalog Number:
AG019V1T
Chemical Name:
4-(1H-imidazol-1-yl)-2-(trifluoromethyl)aniline
CAS Number:
926202-49-5
Molecular Formula:
C10H8F3N3
Molecular Weight:
227.1858
MDL Number:
MFCD09044735
IUPAC Name:
4-imidazol-1-yl-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C10H8F3N3/c11-10(12,13)8-5-7(1-2-9(8)14)16-4-3-15-6-16/h1-6H,14H2
InChI Key:
OXCRZVJIMYTILT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C(F)(F)F)n1cncc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.19g/mol
Monoisotopic Mass:
227.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties