3-(4-bromophenyl)-1,2,4-oxadiazole - CAS 16013-07-3
Catalog: |
BB011602 |
Product Name: |
3-(4-bromophenyl)-1,2,4-oxadiazole |
CAS: |
16013-07-3 |
Synonyms: |
3-(4-bromophenyl)-1,2,4-oxadiazole; 3-(4-bromophenyl)-1,2,4-oxadiazole |
IUPAC Name: | 3-(4-bromophenyl)-1,2,4-oxadiazole |
Description: | 3-(4-bromophenyl)-1,2,4-oxadiazole (CAS# 16013-07-3) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC=N2)Br |
InChI: | InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H |
InChI Key: | OOQNOWMRFJKXTC-UHFFFAOYSA-N |
Boiling Point: | 303.1 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.605 g/cm3 |
LogP: | 2.49910 |
Publication Number | Title | Priority Date |
KR-20190110740-A | Novel aryl or heteroaryl triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
TW-202003476-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-10562865-B2 | Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019308944-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
WO-2019180644-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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