| CAS Number | 1173625-38-1 |
| Catalog Number | AG019VAA |
| Chemical Name | ethyl 4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-(hydroxyiminomethyl)-1-phenylpyrazole-3-carboxylate |
| InChI | InChI=1S/C13H13N3O3/c1-2-19-13(17)12-10(8-14-18)9-16(15-12)11-6-4-3-5-7-11/h3-9,18H,2H2,1H3 |
| InChI Key | DRGVSDRFDDWPSJ-UHFFFAOYSA-N |
| MDL Number | MFCD12197095 |
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.2606 |
| SMILES | CCOC(C1C(C=NO)=CN(C2=CC=CC=C2)N=1)=O |
| Synonyms | ethyl 4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate,
1173625-38-1,
CTK6F7631,
MCULE-9079965924,
Z451350662,
ethyl 4-[(1E)-(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.265g/mol |
| Monoisotopic Mass | 259.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number