| CAS Number | 1094293-78-3 |
| Catalog Number | AG019W2T(AGN-PC-0WO3XK) |
| Chemical Name | 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H6BrNO2S2/c10-5-1-7(14-3-5)9-11-6(4-15-9)2-8(12)13/h1,3-4H,2H2,(H,12,13) |
| InChI Key | DIWICFWGJWBALI-UHFFFAOYSA-N |
| MDL Number | MFCD11179467 |
| Molecular Formula | C9H6BrNO2S2 |
| Molecular Weight | 304.1834 |
| SMILES | OC(CC1N=C(C2SC=C(Br)C=2)SC=1)=O |
| Synonyms | 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid,
1094293-78-3,
AC1Q750P,
CTK7J2503,
ZINC36379616,
AKOS009312981,
MCULE-7662658325,
NE19890,
EN300-50310,
Z752370872,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.176g/mol |
| Monoisotopic Mass | 302.902g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number