| CAS Number | 1016755-41-1 |
| Catalog Number | AG00VS1R(AGN-PC-0WBQ8S) |
| Chemical Name | 5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13) |
| InChI Key | RCXFDMQIMKOVCS-UHFFFAOYSA-N |
| MDL Number | MFCD09808054 |
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.1968 |
| SMILES | NC1OC(C2OC3=C(C=CC=C3)OC2)=NN=1 |
| Synonyms | 5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-amine,
1016755-41-1,
AC1Q535P,
CTK7E1461,
AOD101053,
AKOS000158049,
AKOS024627826,
MCULE-6953344536,
EN300-61837,
L-3177,
F2158-1514,
Z1262250749,
5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-amine,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.2g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number