4-(1H-Tetrazol-5-yl)phenol - CAS 51517-88-5
Catalog: |
BB027473 |
Product Name: |
4-(1H-Tetrazol-5-yl)phenol |
CAS: |
51517-88-5 |
Synonyms: |
4-(2H-tetrazol-5-yl)phenol; 4-(2H-tetrazol-5-yl)phenol |
IUPAC Name: | 4-(2H-tetrazol-5-yl)phenol |
Description: | 4-(1H-Tetrazol-5-yl)phenol (CAS# 51517-88-5) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C7H6N4O |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)O |
InChI: | InChI=1S/C7H6N4O/c12-6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11) |
InChI Key: | QOYMNYWFHZFXHR-UHFFFAOYSA-N |
Boiling Point: | 416.78 °C at 760 mmHg |
Density: | 1.459 g/cm3 |
MDL: | MFCD05662709 |
LogP: | 0.57230 |
Publication Number | Title | Priority Date |
WO-2020208139-A1 | Inhibitors of notch signalling pathway and use thereof in treatment of cancers | 20190410 |
TW-202104166-A | Inhibitors of notch signalling pathway and use thereof in treatment of cancers | 20190410 |
WO-2019241751-A1 | Ssao inhibitors and uses thereof | 20180615 |
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 |
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: | 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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