| CAS Number | 380623-76-7 |
| Catalog Number | AG0076FF(AGN-PC-00B4HT) |
| Chemical Name | 3-Chloro-4-nitro-N-(5-nitro-2-thiazolyl)-benzamide |
| IUPAC Name | 3-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide |
| InChI | InChI=1S/C10H5ClN4O5S/c11-6-3-5(1-2-7(6)14(17)18)9(16)13-10-12-4-8(21-10)15(19)20/h1-4H,(H,12,13,16) |
| InChI Key | XCHLNGBTHLJLFG-UHFFFAOYSA-N |
| MDL Number | MFCD00834007 |
| Molecular Formula | C10H5ClN4O5S |
| Molecular Weight | 328.6885 |
| SMILES | ClC=1C=C(C(=O)NC=2SC(=CN2)[N+](=O)[O-])C=CC1[N+](=O)[O-] |
| Synonyms | SM 7368,
SM-7368,
SM7368,
NF-kappaB Activation Inhibitor III,
3-Chloro-4-nitro-N-(5-nitro-2-thiazolyl)-benzamide,
380623-76-7,
SM-7368,
SCHEMBL159312,
CTK8E4433,
NF B Activation Inhibitor III,
DTXSID80468240,
ZINC44682013,
AKOS021094457,
RT-014697,
SM-7368, >=98% (HPLC),
CID11537217,
3-Chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.683g/mol |
| Monoisotopic Mass | 327.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 162A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number