| CAS Number | 1038981-90-6 |
| Catalog Number | AG01A0FU |
| Chemical Name | 4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenol |
| IUPAC Name | 4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenol |
| InChI | InChI=1S/C14H9BrN2O2/c15-11-3-1-2-10(8-11)14-16-13(17-19-14)9-4-6-12(18)7-5-9/h1-8,18H |
| InChI Key | YHLOLPKOYIXRDP-UHFFFAOYSA-N |
| MDL Number | MFCD12739573 |
| Molecular Formula | C14H9BrN2O2 |
| Molecular Weight | 317.1375 |
| SMILES | OC1=CC=C(C2N=C(C3=CC(Br)=CC=C3)ON=2)C=C1 |
| Synonyms | 4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenol,
1038981-90-6,
ZINC20432762,
AKOS009252300,
MCULE-4020814119,
NE41755,
Z1169935875,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.142g/mol |
| Monoisotopic Mass | 315.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number