2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole - CAS 33621-61-3
Catalog: |
BB021797 |
Product Name: |
2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole |
CAS: |
33621-61-3 |
Synonyms: |
5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine |
Description: | 2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole (CAS# 33621-61-3) is a useful research chemical. |
Molecular Weight: | 195.61 |
Molecular Formula: | C8H6ClN3O |
Canonical SMILES: | C1=CC(=CC=C1C2=NN=C(O2)N)Cl |
InChI: | InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) |
InChI Key: | ZMWWZXSPDQIWAZ-UHFFFAOYSA-N |
Boiling Point: | 358.3 °C at 760 mmHg |
Density: | 1.415 g/cm3 |
Solubility: | 14.3 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | White to brown powder, crystals or crystalline powder |
MDL: | MFCD00461380 |
LogP: | 2.55340 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110627783-A | Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl | 20191023 |
WO-2020196327-A1 | Production method of quinolinecarboxamide derivative or production intermediate thereof | 20190322 |
TW-202102477-A | Quinoline Carboxamide Derivatives and Manufacturing Methods of Manufacturing Intermediates | 20190322 |
WO-2020043866-A1 | Compounds | 20180831 |
EP-3843844-A1 | Compounds | 20180831 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0199395 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0199395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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