| CAS Number | 863127-14-4 |
| Catalog Number | AG01EL86(AGN-PC-00DV2H) |
| Chemical Name | 2-(4-Bromophenyl)cyclopentan-1-one |
| IUPAC Name | 2-(4-bromophenyl)cyclopentan-1-one |
| InChI | InChI=1S/C11H11BrO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2 |
| InChI Key | JYANSFIFWZNVFJ-UHFFFAOYSA-N |
| MDL Number | MFCD22542679 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | BrC1=CC=C(C2C(=O)CCC2)C=C1 |
| Synonyms | 2-(4-bromophenyl)cyclopentanone,
2-(4-bromophenyl)cyclopentan-1-one,
SCHEMBL4917555,
JYANSFIFWZNVFJ-UHFFFAOYSA-N,
(+/-)-2-(4-bromophenyl)cyclopentanone,
863127-14-4,
CID11673137,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.112g/mol |
| Monoisotopic Mass | 237.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number