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165397-57-9 | Benzenamine, N-[[4-(1,1-dimethylethyl)-1H-1,2,3-triazol-5-yl]methylene]-4-fluoro-
CAS No: 165397-57-9 Catalog No: AG001W4V MDL No:
Product Description
Catalog Number:
AG001W4V
Chemical Name:
Benzenamine, N-[[4-(1,1-dimethylethyl)-1H-1,2,3-triazol-5-yl]methylene]-4-fluoro-
CAS Number:
165397-57-9
Molecular Formula:
C13H15FN4
Molecular Weight:
246.2834
IUPAC Name:
1-(5-tert-butyl-2H-triazol-4-yl)-N-(4-fluorophenyl)methanimine
InChI:
InChI=1S/C13H15FN4/c1-13(2,3)12-11(16-18-17-12)8-15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,16,17,18)
InChI Key:
UTUSCYWSHYEHBV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N=Cc1[nH]nnc1C(C)(C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.289g/mol
Monoisotopic Mass:
246.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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