| CAS Number | 1007016-49-0 |
| Catalog Number | AG019JRE |
| Chemical Name | Sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate |
| IUPAC Name | sodium;2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C17H13NO3S.Na/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14;/h1-9,11H,10H2,(H,19,20);/q;+1/p-1 |
| InChI Key | HOKQEQWPZCJPGM-UHFFFAOYSA-M |
| MDL Number | MFCD07288347 |
| Molecular Formula | C17H12NNaO3S |
| Molecular Weight | 333.3369 |
| SMILES | [Na+].[O-]C(CC1N=C(C2=CC(OC3=CC=CC=C3)=CC=C2)SC=1)=O |
| Synonyms | sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate,
1007016-49-0,
sodium [2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate,
MLS001004190,
AC1Q1V71,
CHEMBL1599269,
CTK5I4990,
HMS2762O15,
MCULE-6188094899,
NE20064,
SMR000377786,
EN300-10194,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.337g/mol |
| Monoisotopic Mass | 333.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number