| CAS Number | 926261-49-6 |
| Catalog Number | AG019V5A |
| Chemical Name | 2-(2-[(2-Iodobenzene)amido]-1,3-thiazol-4-yl)acetic acid |
| IUPAC Name | 2-[2-[(2-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C12H9IN2O3S/c13-9-4-2-1-3-8(9)11(18)15-12-14-7(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18) |
| InChI Key | ZUHHMXMOGIHPHD-UHFFFAOYSA-N |
| MDL Number | MFCD09046260 |
| Molecular Formula | C12H9IN2O3S |
| Molecular Weight | 388.1809 |
| SMILES | OC(CC1N=C(NC(C2=C(I)C=CC=C2)=O)SC=1)=O |
| Synonyms | 926261-49-6,
2-[2-(2-iodobenzamido)-1,3-thiazol-4-yl]acetic acid,
2-{2-[(2-iodobenzene)amido]-1,3-thiazol-4-yl}acetic acid,
(2-[(2-iodobenzoyl)amino]-1,3-thiazol-4-yl)acetic acid,
{2-[(2-IODOBENZOYL)AMINO]-1,3-THIAZOL-4-YL}ACETIC ACID,
AC1Q751K,
CTK7J2545,
ZINC13405848,
AKOS000129887,
MCULE-4396367216,
NE14180,
EN300-43798,
Z224295978,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.179g/mol |
| Monoisotopic Mass | 387.938g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number