Home Other Building Blocks 1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole

1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole

CAS No.:
126560-62-1
Catalog Number:
AG01BNR5
Molecular Formula:
C4H4F3N3
Molecular Weight:
151.0899
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Product Description
Catalog Number:
AG01BNR5
Chemical Name:
1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole
CAS Number:
126560-62-1
Molecular Formula:
C4H4F3N3
Molecular Weight:
151.0899
MDL Number:
MFCD26516294
IUPAC Name:
1-methyl-4-(trifluoromethyl)triazole
InChI:
InChI=1S/C4H4F3N3/c1-10-2-3(8-9-10)4(5,6)7/h2H,1H3
InChI Key:
OJDHLBJSZSGEER-UHFFFAOYSA-N
SMILES:
FC(c1nnn(c1)C)(F)F
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.036g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.092g/mol
Monoisotopic Mass:
151.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties