| CAS Number | 1379265-83-4 |
| Catalog Number | AG01BTEB |
| Chemical Name | 5-bromo-2,2-dimethylcyclopentan-1-one |
| IUPAC Name | 5-bromo-2,2-dimethylcyclopentan-1-one |
| InChI | InChI=1S/C7H11BrO/c1-7(2)4-3-5(8)6(7)9/h5H,3-4H2,1-2H3 |
| InChI Key | CVNGETZFSNTKKR-UHFFFAOYSA-N |
| MDL Number | MFCD20636366 |
| Molecular Formula | C7H11BrO |
| Molecular Weight | 191.0656 |
| SMILES | CC1(C(=O)C(Br)CC1)C |
| Synonyms | 5-bromo-2,2-dimethylcyclopentan-1-one,
1379265-83-4,
SCHEMBL11832757,
5-bromo-2,2-dimethylcyclopentanone,
AKOS017530977,
F8884-6714,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.068g/mol |
| Monoisotopic Mass | 189.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number