| CAS Number | 15911-30-5 |
| Catalog Number | AG01F8L6(AGN-PC-0K5PIX) |
| Chemical Name | 4-Methyl-2-(4-nitrophenyl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8N2O4S/c1-6-9(11(14)15)18-10(12-6)7-2-4-8(5-3-7)13(16)17/h2-5H,1H3,(H,14,15) |
| InChI Key | IAWXKDQKIJAATO-UHFFFAOYSA-N |
| MDL Number | MFCD01936221 |
| Molecular Formula | C11H8N2O4S |
| Molecular Weight | 264.2572 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1nc(c(s1)C(=O)O)C |
| Synonyms | 15911-30-5,
4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylic acid,
4-Methyl-2-(4-nitrophenyl)thiazole-5-carboxylic acid,
AC1LSZ6Q,
MLS000735997,
SCHEMBL8867718,
CHEMBL1579136,
CHEBI:114266,
HMS2640J19,
KS-000035GE,
ZINC1385503,
AKOS005087695,
3G-301S,
MCULE-7018482760,
SMR000338547,
CID1473788,
4-Methyl-2-(3-nitrophenyl)-thiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.255g/mol |
| Monoisotopic Mass | 264.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number