| CAS Number | 76173-08-5 |
| Catalog Number | AG00ICPK(AGN-PC-00H26H) |
| Chemical Name | 1-(4-Bromophenyl)pent-4-en-1-one |
| IUPAC Name | 1-(4-bromophenyl)pent-4-en-1-one |
| InChI | InChI=1S/C11H11BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,5-8H,1,3-4H2 |
| InChI Key | ZRCKLFJMCKAXJX-UHFFFAOYSA-N |
| MDL Number | MFCD20290682 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | C=CCCC(=O)c1ccc(cc1)Br |
| Synonyms | 1-(4-bromophenyl)pent-4-en-1-one,
76173-08-5,
1-(4-bromophenyl)-4-penten-1-one,
1-(4-bromo-phenyl)-pent-4-en-1-one,
SCHEMBL11738823,
CTK5J4089,
ZINC36468004,
1-(4-bromophenyl)-pent-4-en-1-one,
AKOS013637447,
4-Penten-1-one, 1-(4-bromophenyl)-,
CID11831507,
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| Complexity | 181 |
| 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 | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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