| CAS Number | 406192-63-0 |
| Catalog Number | AG00IZQV(AGN-PC-0WB0LH) |
| Chemical Name | 5-nitro-1-benzofuran-2-carbohydrazide |
| IUPAC Name | 5-nitro-1-benzofuran-2-carbohydrazide |
| InChI | InChI=1S/C9H7N3O4/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13) |
| InChI Key | KYTAXIVIRCEFSC-UHFFFAOYSA-N |
| MDL Number | MFCD11553052 |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.1696 |
| SMILES | O=[N+]([O-])C2(=CC1(=C(OC(=C1)C(=O)NN)C=C2)) |
| Synonyms | 5-nitro-1-benzofuran-2-carbohydrazide,
406192-63-0,
5-Nitrobenzofuran-2-carbohydrazide,
nitrobenzofurancarbohydrazide,
SCHEMBL6239637,
CTK7F0189,
KS-000027AB,
MFCD11553052,
SBB096097,
ZINC22995901,
5-nitrobenzo[b]furan-2-carbohydrazide,
AKOS005073105,
KC-0707,
RP12775,
AJ-81606,
TR-065125,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.172g/mol |
| Monoisotopic Mass | 221.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number