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88596-65-0 | 1H-1,2,3-Triazole, 4-(azidodiphenylmethyl)-5-phenyl-
CAS No: 88596-65-0 Catalog No: AG004AR8 MDL No:
Product Description
Catalog Number:
AG004AR8
Chemical Name:
1H-1,2,3-Triazole, 4-(azidodiphenylmethyl)-5-phenyl-
CAS Number:
88596-65-0
Molecular Formula:
C21H16N6
Molecular Weight:
352.3919
IUPAC Name:
4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole
InChI:
InChI=1S/C21H16N6/c22-26-25-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(23-27-24-20)16-10-4-1-5-11-16/h1-15H,(H,23,24,27)
InChI Key:
SZLFKEFOWAWJFS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(c1nn[nH]c1c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.144g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.401g/mol
Monoisotopic Mass:
352.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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