| CAS Number | 1004764-65-1 |
| Catalog Number | AG019F2A(AGN-PC-0WOLB3) |
| Chemical Name | Methyl 3-bromo-4-oxocyclopentanecarboxylate |
| IUPAC Name | methyl 3-bromo-4-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C7H9BrO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-5H,2-3H2,1H3 |
| InChI Key | ACFRUYSOUKJTTP-UHFFFAOYSA-N |
| MDL Number | MFCD26399743 |
| Molecular Formula | C7H9BrO3 |
| Molecular Weight | 221.0486 |
| SMILES | COC(=O)C1CC(=O)C(C1)Br |
| Synonyms | Methyl 3-bromo-4-oxocyclopentanecarboxylate,
1004764-65-1,
SCHEMBL3579616,
ACFRUYSOUKJTTP-UHFFFAOYSA-N,
CS-0061870,
methyl 3-bromo-4-oxocyclopentane-1-carboxylate,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.97351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.05g/mol |
| Monoisotopic Mass | 219.97351g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number