| CAS Number | 130560-72-4 |
| Catalog Number | AG00XDDF(AGN-PC-3H45AH) |
| Chemical Name | 2-(2-(4-Nitrophenyl)thiazol-4-yl)acetic acid |
| IUPAC Name | 2-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H8N2O4S/c14-10(15)5-8-6-18-11(12-8)7-1-3-9(4-2-7)13(16)17/h1-4,6H,5H2,(H,14,15) |
| InChI Key | LLDCXPMGPFNAEQ-UHFFFAOYSA-N |
| MDL Number | MFCD12114473 |
| Molecular Formula | C11H8N2O4S |
| Molecular Weight | 264.2572 |
| SMILES | C(C1=CSC(C2C=CC([N+]([O-])=O)=CC=2)=N1)C(=O)O |
| Synonyms | 130560-72-4,
2-(2-(4-Nitrophenyl)thiazol-4-yl)acetic acid,
2-(4-Nitrophenyl)thiazole-4-acetic acid,
ZINC36912301,
2-(4-Nitrophenyl)thiazole-4-acetic acid, AldrichCPR,
2-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]acetic acid,
|
| Complexity | 326 |
| 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 | 3 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number