| CAS Number | 1597679-65-6 |
| Catalog Number | AG01ACEH(AGN-PC-0WO1BA) |
| Chemical Name | 5-(Difluoromethyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(difluoromethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C3H3F2N3O/c4-1(5)2-7-8-3(6)9-2/h1H,(H2,6,8) |
| InChI Key | HUTOZEAHMLMCRX-UHFFFAOYSA-N |
| MDL Number | MFCD27959349 |
| Molecular Formula | C3H3F2N3O |
| Molecular Weight | 135.0722 |
| SMILES | NC1OC(C(F)F)=NN=1 |
| Synonyms | 5-(difluoromethyl)-1,3,4-oxadiazol-2-amine,
1597679-65-6,
ZINC95942434,
AKOS024160753,
MCULE-4654980429,
NE17260,
Z1809367669,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.074g/mol |
| Monoisotopic Mass | 135.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number