| CAS Number | 6728-56-9 |
| Catalog Number | AG01CCAS(AGN-PC-0WBNVK) |
| Chemical Name | (1-Bromocyclopentyl)(4-chlorophenyl)methanone |
| IUPAC Name | (1-bromocyclopentyl)-(4-chlorophenyl)methanone |
| InChI | InChI=1S/C12H12BrClO/c13-12(7-1-2-8-12)11(15)9-3-5-10(14)6-4-9/h3-6H,1-2,7-8H2 |
| InChI Key | GTQWGXVWCDMYRI-UHFFFAOYSA-N |
| Molecular Formula | C12H12BrClO |
| Molecular Weight | 287.5801 |
| SMILES | BrC1(CCCC1)C(=O)C1=CC=C(C=C1)Cl |
| Synonyms | 6728-56-9,
1-Bromcyclopentyl-p-chlorphenylketon,
1-Bromo-1-cyclopentyl 4-Chlorophenyl Ketone,
(1-Bromocyclopentyl)-(4-chlorophenyl)methanone,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.581g/mol |
| Monoisotopic Mass | 285.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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