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1025-89-4 | 1H-1,2,4-Triazole, 5-methyl-1,3-diphenyl-
CAS No: 1025-89-4 Catalog No: AG0007LN MDL No:
Product Description
Catalog Number:
AG0007LN
Chemical Name:
1H-1,2,4-Triazole, 5-methyl-1,3-diphenyl-
CAS Number:
1025-89-4
Molecular Formula:
C15H13N3
Molecular Weight:
235.2838
IUPAC Name:
5-methyl-1,3-diphenyl-1,2,4-triazole
InChI:
InChI=1S/C15H13N3/c1-12-16-15(13-8-4-2-5-9-13)17-18(12)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
GDYDLKDQIOOXJY-UHFFFAOYSA-N
SMILES:
Cc1nc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.29g/mol
Monoisotopic Mass:
235.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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