5-Chloro-3-phenyl-1,2,4-oxadiazole - CAS 827-44-1
Catalog: |
BB036896 |
Product Name: |
5-Chloro-3-phenyl-1,2,4-oxadiazole |
CAS: |
827-44-1 |
Synonyms: |
5-chloro-3-phenyl-1,2,4-oxadiazole |
IUPAC Name: | 5-chloro-3-phenyl-1,2,4-oxadiazole |
Description: | 5-Chloro-3-phenyl-1,2,4-oxadiazole (CAS# 827-44-1) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC=C(C=C1)C2=NOC(=N2)Cl |
InChI: | InChI=1S/C8H5ClN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H |
InChI Key: | MOJYPXFSJLVCRN-UHFFFAOYSA-N |
Density: | 1.328±0.06 g/cm3 (20 ℃ 760 Torr) |
MDL: | MFCD09971531 |
LogP: | 2.39000 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019209948-A1 | Compounds and uses thereof | 20180425 |
WO-2019209948-A9 | Compounds and uses thereof | 20180425 |
TW-201927778-A | Cyclohexyl acid triazoles as LPA antagonists | 20171219 |
CN-111712492-A | Cyclohexaneacetic acid triazolazoles as LPA antagonists | 20171219 |
EP-3728224-A1 | Cyclohexyl acid triazole azoles as lpa antagonists | 20171219 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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