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Home > Nitro Compounds > 88596-69-4
88596-69-4 | 1H-1,2,3-Triazole, 4-[azido(3-nitrophenyl)methyl]-5-phenyl-
CAS No: 88596-69-4 Catalog No: AG004AR7 MDL No:
Product Description
Catalog Number:
AG004AR7
Chemical Name:
1H-1,2,3-Triazole, 4-[azido(3-nitrophenyl)methyl]-5-phenyl-
CAS Number:
88596-69-4
Molecular Formula:
C15H11N7O2
Molecular Weight:
321.2935
IUPAC Name:
4-[azido-(3-nitrophenyl)methyl]-5-phenyl-2H-triazole
InChI:
InChI=1S/C15H11N7O2/c16-20-17-14(11-7-4-8-12(9-11)22(23)24)15-13(18-21-19-15)10-5-2-1-3-6-10/h1-9,14H,(H,18,19,21)
InChI Key:
FXDDUABGKCHJHP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(c1nn[nH]c1c1ccccc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.3g/mol
Monoisotopic Mass:
321.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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