| CAS Number | 60729-37-5 |
| Catalog Number | AG00EGL0(AGN-PC-002WA6) |
| Chemical Name | 4-Bromo-5-chlorothiophene-2-carboxylic acid |
| IUPAC Name | 4-bromo-5-chlorothiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H2BrClO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9) |
| InChI Key | CFVLYODPDQGKTF-UHFFFAOYSA-N |
| MDL Number | MFCD00847582 |
| Molecular Formula | C5H2BrClO2S |
| Molecular Weight | 241.4902 |
| SMILES | O=C(C1=CC(Br)=C(Cl)S1)O |
| Synonyms | 4-Bromo-5-chlorothiophene-2-carboxylic acid,
60729-37-5,
4-Bromo-5-chloro-2-thiophenecarboxylic acid,
MFCD00847582,
SCHEMBL1529502,
KS-00000RAA,
DTXSID80564978,
CFVLYODPDQGKTF-UHFFFAOYSA-N,
ZINC34404549,
AKOS000279748,
DS-5364,
AJ-88316,
AK127057,
2-Chloro-3-bromo-5-thiophenecarobylic acid,
FT-0722174,
4-Bromo-5-chloro-2-thiophenecarboxylic acid, AldrichCPR,
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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