4-(2H-Tetrazol-2-yl)phenol - CAS 64001-12-3
Catalog: |
BB032342 |
Product Name: |
4-(2H-Tetrazol-2-yl)phenol |
CAS: |
64001-12-3 |
Synonyms: |
4-(tetrazol-2-yl)phenol |
IUPAC Name: | 4-(tetrazol-2-yl)phenol |
Description: | 4-(2H-Tetrazol-2-yl)phenol (CAS# 64001-12-3) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C7H6N4O |
Canonical SMILES: | C1=CC(=CC=C1N2N=CN=N2)O |
InChI: | InChI=1S/C7H6N4O/c12-7-3-1-6(2-4-7)11-9-5-8-10-11/h1-5,12H |
InChI Key: | XWEZECGCHUPQKW-UHFFFAOYSA-N |
Boiling Point: | 370.2 ℃ at 760 mmHg |
Density: | 1.46 g/cm3 |
LogP: | 0.36790 |
Publication Number | Title | Priority Date |
CN-110914234-A | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 20170804 |
WO-2019024924-A1 | AMINO COMPOUND FOR INHIBITING SSAO / VAP-1 AND ITS USE IN MEDICINE | 20170804 |
AU-2015290033-A1 | Inhibitors of the renal outer medullary potassium channel | 20140714 |
CA-2950784-A1 | Inhibitors of the renal outer medullary potassium channel | 20140714 |
EP-3169673-A1 | Inhibitors of the renal outer medullary potassium channel | 20140714 |
Complexity: | 146 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.05416083 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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