| CAS Number | 3805-47-8 |
| Catalog Number | AG01EIMD(AGN-PC-0LQMDC) |
| Chemical Name | N'-[(1E)-(5-nitrofuran-2-yl)methylidene]furan-2-carbohydrazide |
| IUPAC Name | N-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide |
| InChI | InChI=1S/C10H7N3O5/c14-10(8-2-1-5-17-8)12-11-6-7-3-4-9(18-7)13(15)16/h1-6H,(H,12,14) |
| InChI Key | VXEGETJHRMEBKE-UHFFFAOYSA-N |
| MDL Number | MFCD00435301 |
| Molecular Formula | C10H7N3O5 |
| Molecular Weight | 249.1797 |
| SMILES | [O-][N+](C1OC(/C=N/NC(C2OC=CC=2)=O)=CC=1)=O |
| Synonyms | AC1LGLMG,
CBDivE_001005,
3805-47-8,
AKOS034409901,
MCULE-1999303567,
Z49681516,
N'-[(5-nitrofuran-2-yl)methylidene]furan-2-carbohydrazide,
N-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide,
CID796859,
ZINC00301284,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.182g/mol |
| Monoisotopic Mass | 249.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number