Home Other Building Blocks 4-(2H-1,2,3-triazol-2-yl)-2-(trifluoromethyl)aniline

4-(2H-1,2,3-triazol-2-yl)-2-(trifluoromethyl)aniline

CAS No.:
1087792-57-1
Catalog Number:
AG019N3R
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
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Product Description
Catalog Number:
AG019N3R
Chemical Name:
4-(2H-1,2,3-triazol-2-yl)-2-(trifluoromethyl)aniline
CAS Number:
1087792-57-1
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
MDL Number:
MFCD11505411
IUPAC Name:
4-(triazol-2-yl)-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H7F3N4/c10-9(11,12)7-5-6(1-2-8(7)13)16-14-3-4-15-16/h1-5H,13H2
InChI Key:
SXFOLYAWSCPTFM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C(F)(F)F)n1nccn1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
228.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties