1H-Tetrazole, 5-(4-chlorophenyl)-


Chemical Name: 1H-Tetrazole, 5-(4-chlorophenyl)-
CAS Number: 16687-61-9
Product Number: AG001WZF(AGN-PC-0O4QMB)
Synonyms:
MDL No: MFCD00040952
Molecular Formula: C7H5ClN4
Molecular Weight: 180.5944

Identification/Properties


Properties
BP:
356.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
180.595g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
180.02g/mol
Monoisotopic Mass:
180.02g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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