| CAS Number | 189330-38-9 |
| Catalog Number | AG002IBD(AGN-PC-03OPJ2) |
| Chemical Name | 5-Bromo-2-chlorothiophene-3-carboxylic acid |
| IUPAC Name | 5-bromo-2-chlorothiophene-3-carboxylic acid |
| InChI | InChI=1S/C5H2BrClO2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9) |
| InChI Key | BGKGZWTWYYPYAR-UHFFFAOYSA-N |
| MDL Number | MFCD16996057 |
| Molecular Formula | C5H2BrClO2S |
| Molecular Weight | 241.4902 |
| SMILES | O=C(C1=C(Cl)SC(Br)=C1)O |
| Synonyms | 5-BROMO-2-CHLOROTHIOPHENE-3-CARBOXYLIC ACID,
189330-38-9,
5-Bromo-2-chloro-3-thiophenecarboxylic acid,
SCHEMBL157848,
BGKGZWTWYYPYAR-UHFFFAOYSA-N,
ZINC95709674,
AKOS022185981,
AS06535,
CM10463,
FCH1349440,
MB19768,
AJ-133699,
AX8282641,
FT-0710906,
3-Thiophenecarboxylic acid, 5-bromo-2-chloro-,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.483g/mol |
| Monoisotopic Mass | 239.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number