| CAS Number | 939962-84-2 |
| Catalog Number | AG01AAFX(AGN-PC-0WO922) |
| Chemical Name | 5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H8BrN3O2/c1-14-5-2-3-7(10)6(4-5)8-12-13-9(11)15-8/h2-4H,1H3,(H2,11,13) |
| InChI Key | AHDKBAAUCAFYKT-UHFFFAOYSA-N |
| MDL Number | MFCD09944568 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | COC1=CC(C2OC(N)=NN=2)=C(Br)C=C1 |
| Synonyms | 5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine,
939962-84-2,
AC1Q48B4,
AOD101368,
ZINC19504806,
AKOS000191633,
AKOS008107128,
MCULE-6487915685,
NE21384,
EN300-68474,
Z1263602424,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.086g/mol |
| Monoisotopic Mass | 268.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number