| CAS Number | 77014-10-9 |
| Catalog Number | AG01EL04(AGN-PC-0NJXHZ) |
| Chemical Name | 2-(2,5-Dibromothiophen-3-Yl)Acetic Acid |
| IUPAC Name | 2-(2,5-dibromothiophen-3-yl)acetic acid |
| InChI | InChI=1S/C6H4Br2O2S/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H,9,10) |
| InChI Key | TXWCVMIANHTMBE-UHFFFAOYSA-N |
| MDL Number | MFCD00832934 |
| Molecular Formula | C6H4Br2O2S |
| Molecular Weight | 299.9678 |
| SMILES | BrC=1SC(=CC1CC(=O)O)Br |
| Synonyms | 77014-10-9,
2-(2,5-dibromo-thiophen-3-yl)acetic acid,
SCHEMBL365715,
2,5-Dibromothiophene-3-acetic acid,
2-(2,5-dibromothiophen-3-yl)acetic acid,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.964g/mol |
| Monoisotopic Mass | 297.83g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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