5-(3-hydroxyphenyl) tetrazole - CAS 96859-34-6
Catalog: |
BB042014 |
Product Name: |
5-(3-hydroxyphenyl) tetrazole |
CAS: |
96859-34-6 |
Synonyms: |
3-(2H-tetrazol-5-yl)phenol; 3-(2H-tetrazol-5-yl)phenol |
IUPAC Name: | 3-(2H-tetrazol-5-yl)phenol |
Description: | 5-(3-hydroxyphenyl) tetrazole (CAS# 96859-34-6) is used in preparation of Tetrazolylmethylamino Furazan-3-carboxylic Acid derivatives for treatment of cancer. |
Molecular Weight: | 162.15 |
Molecular Formula: | C7H6N4O |
Canonical SMILES: | C1=CC(=CC(=C1)O)C2=NNN=N2 |
InChI: | InChI=1S/C7H6N4O/c12-6-3-1-2-5(4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11) |
InChI Key: | IZORRBUQWFSCII-UHFFFAOYSA-N |
Boiling Point: | 436 ℃ at 760 mmHg |
Density: | 1.458 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD06797247 |
LogP: | 0.57230 |
Publication Number | Title | Priority Date |
EP-3307715-A1 | Aromatic sulfonamide derivatives | 20150610 |
JP-2018528159-A | Aromatic sulfonamide derivatives | 20150610 |
US-2018338980-A1 | Aromatic sulfonamide derivatives | 20150610 |
WO-2016198374-A1 | Aromatic sulfonamide derivatives | 20150610 |
AU-2010249674-A1 | Isoxazolines as inhibitors of fatty acid amide hydrolase | 20090518 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.05416083 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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