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113823-80-6 | 1H-1,2,4-Triazole, 4,5-dihydro-1,4-diphenyl-
CAS No: 113823-80-6 Catalog No: AG0009SV MDL No:
Product Description
Catalog Number:
AG0009SV
Chemical Name:
1H-1,2,4-Triazole, 4,5-dihydro-1,4-diphenyl-
CAS Number:
113823-80-6
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
IUPAC Name:
2,4-diphenyl-3H-1,2,4-triazole
InChI:
InChI=1S/C14H13N3/c1-3-7-13(8-4-1)16-11-15-17(12-16)14-9-5-2-6-10-14/h1-11H,12H2
InChI Key:
ZUAPCBDJKPCNAM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1N=CN(C1)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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