| CAS Number | 13631-94-2 |
| Catalog Number | AG01B1JZ(AGN-PC-0K8HW7) |
| Chemical Name | 1,3-Diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate |
| IUPAC Name | diethyl 2-[(3-nitrophenyl)hydrazinylidene]propanedioate |
| InChI | InChI=1S/C13H15N3O6/c1-3-21-12(17)11(13(18)22-4-2)15-14-9-6-5-7-10(8-9)16(19)20/h5-8,14H,3-4H2,1-2H3 |
| InChI Key | RVMQBEUTDYWOBS-UHFFFAOYSA-N |
| MDL Number | MFCD00623919 |
| Molecular Formula | C13H15N3O6 |
| Molecular Weight | 309.2747 |
| SMILES | CCOC(/C(/C(OCC)=O)=NNC1=CC([N+]([O-])=O)=CC=C1)=O |
| Synonyms | 1,3-diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate,
13631-94-2,
AC1LVTT9,
ZINC1994519,
AKOS001025702,
CCG-237476,
MCULE-9268263966,
LS-89880,
UPCMLD0ENAT0400-1923:001,
Z55334695,
diethyl 2-[(3-nitrophenyl)hydrazinylidene]propanedioate,
ZINC01994519,
CID1711706,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.278g/mol |
| Monoisotopic Mass | 309.096g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number