3-Amino-5-(1H-tetrazol-1-yl)phenyl hydroperoxide - CAS 1443279-64-8
Catalog: |
BB052342 |
Product Name: |
3-Amino-5-(1H-tetrazol-1-yl)phenyl hydroperoxide |
CAS: |
1443279-64-8 |
Synonyms: |
3-amino-5-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-peroxol |
IUPAC Name: | 3-hydroperoxy-5-(tetrazol-1-yl)aniline |
Molecular Weight: | 193.16 |
Molecular Formula: | C7H7N5O2 |
Canonical SMILES: | C1=C(C=C(C=C1N2C=NN=N2)OO)N |
InChI: | InChI=1S/C7H7N5O2/c8-5-1-6(3-7(2-5)14-13)12-4-9-10-11-12/h1-4,13H,8H2 |
InChI Key: | RRFSGLYAWSGJEU-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.05997448 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.05997448 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 99.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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