| CAS Number | 71637-38-2 |
| Catalog Number | AG00FHNX(AGN-PC-0KSMX3) |
| Chemical Name | 2-(5-bromothiophen-2-yl)acetic acid |
| IUPAC Name | 2-(5-bromothiophen-2-yl)acetic acid |
| InChI | InChI=1S/C6H5BrO2S/c7-5-2-1-4(10-5)3-6(8)9/h1-2H,3H2,(H,8,9) |
| InChI Key | HQIXXXJTRKTFIF-UHFFFAOYSA-N |
| MDL Number | MFCD02664814 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | c1cc(sc1CC(=O)O)Br |
| Synonyms | 2-(5-bromothiophen-2-yl)acetic Acid,
71637-38-2,
5-bromo-2-thiopheneacetic acid,
AC1MNXRR,
SCHEMBL2331378,
CTK7J2350,
HQIXXXJTRKTFIF-UHFFFAOYSA-N,
ZINC3750853,
MFCD02664814,
AKOS000166292,
MCULE-3689606723,
NE22780,
BS-13195,
EN300-77227,
CID3335086,
2-(5-bromothiophen-2-yl)acetic acid, 95% - 1G 1g,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number