Home Other Building Blocks 1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-amine

1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-amine

CAS No.:
1476087-29-2
Catalog Number:
AG01B5E1
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
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Product Description
Catalog Number:
AG01B5E1
Chemical Name:
1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-amine
CAS Number:
1476087-29-2
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
MDL Number:
MFCD21939171
IUPAC Name:
1-[2-(trifluoromethyl)phenyl]triazol-4-amine
InChI:
InChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-2-4-7(6)16-5-8(13)14-15-16/h1-5H,13H2
InChI Key:
KXKYZASJQFHMHQ-UHFFFAOYSA-N
SMILES:
Nc1nnn(c1)c1ccccc1C(F)(F)F
Properties
Complexity:
245  
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:
1.9  
Properties