| CAS Number | 61285-29-8 |
| Catalog Number | AG00IAU0(AGN-PC-0JWIUS) |
| Chemical Name | 2-Thiophenecarboxylic acid, 3-bromo-5-methyl- |
| IUPAC Name | 3-bromo-5-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H5BrO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | PMAKMJUFILUVSV-UHFFFAOYSA-N |
| MDL Number | MFCD01859872 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | O=C(C1=C(Br)C=C(C)S1)O |
| Synonyms | 3-bromo-5-methylthiophene-2-carboxylic acid,
61285-29-8,
2-Thiophenecarboxylic acid, 3-bromo-5-methyl-,
AC1LGC8M,
3-bromo-5-methyl-thiophene-2-carboxylic Acid,
SCHEMBL3780362,
CTK2E3418,
DTXSID10356000,
ZINC6556558,
AKOS014614568,
AJ-56364,
Z2293606411,
CID818888,
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| Complexity | 151 |
| 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 | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number