| CAS Number | 1094355-55-1 |
| Catalog Number | AG019W1L(AGN-PC-0WOBO0) |
| Chemical Name | 2-[2-(5-Bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H6BrNO2S2/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 | ORFOKEUMASJJBP-UHFFFAOYSA-N |
| MDL Number | MFCD11179462 |
| Molecular Formula | C9H6BrNO2S2 |
| Molecular Weight | 304.1834 |
| SMILES | OC(CC1N=C(C2SC(Br)=CC=2)SC=1)=O |
| Synonyms | 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid,
1094355-55-1,
AC1Q750T,
CTK7J2493,
ZINC36379601,
AKOS009312066,
MCULE-8000417892,
NE51678,
EN300-50165,
Z607822436,
|
| 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 | 2.9 |
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Certificate of Analysis
Lot Number