| CAS Number | 92057-32-4 |
| Catalog Number | AG01A867(AGN-PC-00OOSJ) |
| Chemical Name | 2-(3-Nitrophenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6N2O4S/c13-10(14)8-5-17-9(11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14) |
| InChI Key | UBRRJFUWRWCSMN-UHFFFAOYSA-N |
| MDL Number | MFCD12114472 |
| Molecular Formula | C10H6N2O4S |
| Molecular Weight | 250.2306 |
| SMILES | OC(C1N=C(C2=CC([N+]([O-])=O)=CC=C2)SC=1)=O |
| Synonyms | 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylic acid,
92057-32-4,
4-Thiazolecarboxylic acid, 2-(3-nitrophenyl)-,
SCHEMBL6181984,
CTK5I3747,
AC1Q7422,
ZINC34515255,
AKOS008139454,
MCULE-9768940501,
NE38955,
EN300-60844,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.228g/mol |
| Monoisotopic Mass | 250.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number