| CAS Number | 327092-64-8 |
| Catalog Number | AG00C6Q8 |
| Chemical Name | N-(4-CHLORO-PHENYL)-4-HYDRAZINO-3-NITRO-BENZENESULFONAMIDE |
| IUPAC Name | N-(4-chlorophenyl)-4-hydrazinyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C12H11ClN4O4S/c13-8-1-3-9(4-2-8)16-22(20,21)10-5-6-11(15-14)12(7-10)17(18)19/h1-7,15-16H,14H2 |
| InChI Key | OCAGVQYDTYEESM-UHFFFAOYSA-N |
| MDL Number | MFCD02708217 |
| Molecular Formula | C12H11ClN4O4S |
| Molecular Weight | 342.7581 |
| SMILES | O=S(C1=CC=C(NN)C([N+]([O-])=O)=C1)(NC2=CC=C(Cl)C=C2)=O |
| Synonyms | 327092-64-8,
N-(4-Chloro-phenyl)-4-hydrazino-3-nitro-benzenesulfonamide,
N-(4-chlorophenyl)-4-hydrazinyl-3-nitrobenzenesulfonamide,
N-(4-chlorophenyl)-4-hydrazinyl-3-nitrobenzene-1-sulfonamide,
EN300-03566,
AC1NR0DS,
AC1Q552I,
CTK7F1581,
ZINC3885825,
MFCD02708217,
AKOS000116227,
MCULE-2029919694,
NE12227,
UPCMLD0ENAT5293570:001,
NCGC00333704-01,
AB01329290-02,
J-523049,
Z56792372,
n-(4-chlorophenyl)-4-hydrazino-3-nitrobenzenesulfonamide,
ZINC03885825,
CID5258874,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.754g/mol |
| Monoisotopic Mass | 342.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number