| CAS Number | 1016675-28-7 |
| Catalog Number | AG01AAHM(AGN-PC-0WOCL1) |
| Chemical Name | 5-(2-Bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C8H5BrFN3O/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13) |
| InChI Key | VGZKXDFCISOURP-UHFFFAOYSA-N |
| MDL Number | MFCD09813092 |
| Molecular Formula | C8H5BrFN3O |
| Molecular Weight | 258.0472 |
| SMILES | NC1OC(C2=C(Br)C=C(F)C=C2)=NN=1 |
| Synonyms | 5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-amine,
1016675-28-7,
CTK7B8493,
AOD101280,
ZINC19277464,
AKOS000156764,
MCULE-7623347877,
NE24446,
EN300-68642,
Z1263602453,
AC1Q534O,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.05g/mol |
| Monoisotopic Mass | 256.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number