| CAS Number | 174454-41-2 |
| Catalog Number | AG00AN3R(AGN-PC-09XWQG) |
| Chemical Name | 2-(2-Bromothiophen-3-yl)acetic acid |
| IUPAC Name | 2-(2-bromothiophen-3-yl)acetic acid |
| InChI | InChI=1S/C6H5BrO2S/c7-6-4(1-2-10-6)3-5(8)9/h1-2H,3H2,(H,8,9) |
| InChI Key | CGQRDVQJIXQIRB-UHFFFAOYSA-N |
| MDL Number | MFCD22036014 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | OC(CC1=C(Br)SC=C1)=O |
| Synonyms | 2-(2-bromothiophen-3-yl)acetic acid,
174454-41-2,
SCHEMBL2684375,
AKOS022688803,
2-bromo-(3-thienyl)-acetic acid,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.068g/mol |
| Monoisotopic Mass | 219.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number