| CAS Number | 941400-50-6 |
| Catalog Number | AG019KVZ |
| Chemical Name | 1-[4-(1H-1,2,4-Triazol-1-yl)phenyl]ethanone oxime |
| IUPAC Name | N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylidene]hydroxylamine |
| InChI | InChI=1S/C10H10N4O/c1-8(13-15)9-2-4-10(5-3-9)14-7-11-6-12-14/h2-7,15H,1H3 |
| InChI Key | VVOXRSCTXMFUFJ-UHFFFAOYSA-N |
| MDL Number | MFCD09413276 |
| Molecular Formula | C10H10N4O |
| Molecular Weight | 202.2126 |
| SMILES | CC(C1=CC=C(N2N=CN=C2)C=C1)=NO |
| Synonyms | N-{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethylidene}hydroxylamine,
941400-50-6,
CTK8A6004,
CTK8F3066,
MCULE-8639540166,
Z65478071,
1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethanone oxime,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.217g/mol |
| Monoisotopic Mass | 202.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number