| CAS Number | 355425-79-5 |
| Catalog Number | AG00CLUO(AGN-PC-0WB05T) |
| Chemical Name | Ethyl 4-hydrazinyl-3-nitrobenzoate |
| IUPAC Name | ethyl 4-hydrazinyl-3-nitrobenzoate |
| InChI | InChI=1S/C9H11N3O4/c1-2-16-9(13)6-3-4-7(11-10)8(5-6)12(14)15/h3-5,11H,2,10H2,1H3 |
| InChI Key | MAQFPKZXKHGKQY-UHFFFAOYSA-N |
| MDL Number | MFCD02376027 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | N(N)C1=C(C=C(C(=O)OCC)C=C1)[N+](=O)[O-] |
| Synonyms | ethyl 4-hydrazinyl-3-nitrobenzoate,
355425-79-5,
AC1N8FRD,
KS-000026NR,
ZINC5598588,
ZX-RL002710,
AKOS003646837,
HH-0701,
CJ-12669,
OR303577,
V5458,
K-8040,
C9H11N3O4,
Ethyl 4-hydrazinyl-3-nitro-benzoate,
CID4318080,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number