| CAS Number | 1152605-21-4 |
| Catalog Number | AG019XDT(AGN-PC-0WOCFZ) |
| Chemical Name | 2-[2-(5-Chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H6ClNO2S2/c10-7-2-1-6(15-7)9-11-5(4-14-9)3-8(12)13/h1-2,4H,3H2,(H,12,13) |
| InChI Key | VDXCPXOXILZYNC-UHFFFAOYSA-N |
| MDL Number | MFCD11102968 |
| Molecular Formula | C9H6ClNO2S2 |
| Molecular Weight | 259.7324 |
| SMILES | OC(CC1N=C(C2SC(Cl)=CC=2)SC=1)=O |
| Synonyms | 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid,
1152605-21-4,
AC1Q750W,
CTK7J2494,
ZINC34961478,
AKOS008122087,
MCULE-6363999686,
NE35592,
EN300-54752,
Z823287468,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.722g/mol |
| Monoisotopic Mass | 258.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number