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355154-95-9 | 1-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CAS No: 355154-95-9 Catalog No: AG01FN75 MDL No:
Product Description
Catalog Number:
AG01FN75
Chemical Name:
1-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CAS Number:
355154-95-9
IUPAC Name:
4-phenyl-1H-tetrazol-5-one
InChI:
InChI=1S/C7H6N4O/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChI Key:
FYYACQQSYSDVJB-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and antiproliferative evaluation of 5-oxo and 5-thio derivatives of 1,4-diaryl tetrazoles. | Bioorganic & medicinal chemistry letters 20100701 |
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