| CAS Number | 883877-86-9 |
| Catalog Number | AG00J2DS(AGN-PC-00CF4J) |
| Chemical Name | 5-(Trifluoromethyl)-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-(trifluoromethyl)-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-2(7)9-10-1/h(H2,7,9) |
| InChI Key | PCOKNKJYNNUWEU-UHFFFAOYSA-N |
| MDL Number | MFCD20720492 |
| Molecular Formula | C3H2F3N3O |
| Molecular Weight | 153.0627 |
| SMILES | C1(ON=C(N)N=1)C(F)(F)F |
| Synonyms | 5-(trifluoromethyl)-1,2,4-oxadiazol-3-amine,
883877-86-9,
1,2,4-Oxadiazol-3-amine, 5-(trifluoromethyl)-,
ALBB-018603,
MFCD20720492,
ZINC35904547,
AKOS015997666,
MCULE-5594142780,
Y-8428,
CID11600703,
1,2,4-Oxadiazol-3-amine,5-(trifluoromethyl)-,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.064g/mol |
| Monoisotopic Mass | 153.015g/mol |
| Rotatable Bond Count | 0 |
| 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