5-(4-Bromophenyl)-1H-tetrazole - CAS 50907-23-8
Catalog: |
BB027259 |
Product Name: |
5-(4-Bromophenyl)-1H-tetrazole |
CAS: |
50907-23-8 |
Synonyms: |
5-(4-bromophenyl)-2H-tetrazole |
IUPAC Name: | 5-(4-bromophenyl)-2H-tetrazole |
Description: | 5-(4-Bromophenyl)-1H-tetrazole (CAS# 50907-23-8) is a useful research chemical. |
Molecular Weight: | 225.05 |
Molecular Formula: | C7H5BrN4 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)Br |
InChI: | InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
InChI Key: | YMZMDMWMKVPGDP-UHFFFAOYSA-N |
Boiling Point: | 374.6 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.745 g/cm3 |
Solubility: | 9.5 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Solid |
MDL: | MFCD00991874 |
LogP: | 1.62920 |
GHS Hazard Statement: | H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202045491-A | Azole derivatives | 20190220 |
WO-2020171146-A1 | Azole derivative | 20190220 |
WO-2020145250-A1 | 15-pgdh inhibitor | 20190108 |
TW-202043206-A | 15-PGDH inhibitor | 20190108 |
CN-113226310-A | 15-PGDH inhibitors | 20190108 |
PMID | Publication Date | Title | Journal |
21925773 | 20111101 | Structure-activity relationship and enzyme kinetic studies on 4-aryl-1H-1,2,3-triazoles as indoleamine 2,3-dioxygenase (IDO) inhibitors | European journal of medicinal chemistry |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.96976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.96976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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