| CAS Number | 363571-83-9 |
| Catalog Number | AG01EO4E(AGN-PC-3H466E) |
| Chemical Name | 3,5-dibromo-N'-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-hydroxybenzohydrazide |
| IUPAC Name | 3,5-dibromo-N-[(Z)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-4-hydroxybenzamide |
| InChI | InChI=1S/C20H16Br2N4O4/c1-11-6-14(12(2)25(11)15-4-3-5-16(9-15)26(29)30)10-23-24-20(28)13-7-17(21)19(27)18(22)8-13/h3-10,27H,1-2H3,(H,24,28)/b23-10- |
| InChI Key | DUGCMEGLYHBMAR-RMORIDSASA-N |
| MDL Number | MFCD02636553 |
| Molecular Formula | C20H16Br2N4O4 |
| Molecular Weight | 536.1734 |
| SMILES | BrC=1C=C(C(=O)NN=CC2=C(N(C(=C2)C)C2=CC(=CC=C2)[N+](=O)[O-])C)C=C(C1O)Br |
| Synonyms | 363571-83-9,
ZINC1179060,
Kinesore,
|
| Complexity | 649 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 535.95178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 536.2g/mol |
| Monoisotopic Mass | 533.95383g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 112Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number