| CAS Number | 1378752-12-5 |
| Catalog Number | AG01EBD8 |
| Chemical Name | 3-Bromo-cyclobutanecarboxylic acid |
| IUPAC Name | 3-bromocyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C5H7BrO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8) |
| InChI Key | AZXXMCROALAIRS-UHFFFAOYSA-N |
| MDL Number | MFCD20631705 |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.0119 |
| SMILES | O=C(C1CC(Br)C1)O |
| Synonyms | SCHEMBL16699390,
1378752-12-5,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.96294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.01g/mol |
| Monoisotopic Mass | 177.96294g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number