| CAS Number | 338962-02-0 |
| Catalog Number | AG00IUDL(AGN-PC-0WAUL4) |
| Chemical Name | 2-[2-(4-fluorophenyl)hydrazono]-3-(4-methoxyphenyl)-3-oxopropanal oxime |
| IUPAC Name | (2E,3E)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydroxyimino-1-(4-methoxyphenyl)propan-1-one |
| InChI | InChI=1S/C16H14FN3O3/c1-23-14-8-2-11(3-9-14)16(21)15(10-18-22)20-19-13-6-4-12(17)5-7-13/h2-10,19,22H,1H3/b18-10+,20-15+ |
| InChI Key | IFBNDHARSZMOMG-MSVCLYSYSA-N |
| MDL Number | MFCD00975142 |
| Molecular Formula | C16H14FN3O3 |
| Molecular Weight | 315.2991 |
| SMILES | FC2(=CC=C(NN=C(C(=O)C1(=CC=C(OC)C=C1))C=NO)C=C2) |
| Synonyms | 2-[2-(4-fluorophenyl)hydrazono]-3-(4-methoxyphenyl)-3-oxopropanal oxime,
338962-02-0,
AC1LRYL6,
AC1NV5ZM,
MLS000695075,
CHEMBL3208617,
(2E,3E)-2-[2-(4-fluorophenyl)hydrazin-1-ylidene]-3-(N-hydroxyimino)-1-(4-methoxyphenyl)propan-1-one,
AKOS005095508,
SMR000334702,
5M-003,
(Z)-2-[2-(4-fluorophenyl)hydrazinyl]-1-(4-methoxyphenyl)-3-nitrosoprop-2-en-1-one,
2-[2-(4-fluorophenyl)hydrazinyl]-1-(4-methoxyphenyl)-3-nitrosoprop-2-en-1-one,
ZINC01392359,
CID1479549,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 315.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.304g/mol |
| Monoisotopic Mass | 315.102g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number