| CAS Number | 864851-78-5 |
| Catalog Number | AG01ACCF(AGN-PC-0NHZL6) |
| Chemical Name | 2-(2-Bromophenyl)-1-(4-methylphenyl)ethan-1-one |
| IUPAC Name | 2-(2-bromophenyl)-1-(4-methylphenyl)ethanone |
| InChI | InChI=1S/C15H13BrO/c1-11-6-8-12(9-7-11)15(17)10-13-4-2-3-5-14(13)16/h2-9H,10H2,1H3 |
| InChI Key | PRKMEKBNZGFFJV-UHFFFAOYSA-N |
| MDL Number | MFCD12519478 |
| Molecular Formula | C15H13BrO |
| Molecular Weight | 289.1671 |
| SMILES | CC1=CC=C(C(CC2=C(Br)C=CC=C2)=O)C=C1 |
| Synonyms | 2-(2-bromophenyl)-1-(4-methylphenyl)ethan-1-one,
864851-78-5,
4-Methylphenyl 2-bromobenzyl ketone,
ZINC37531884,
AKOS005911643,
MCULE-7129624187,
NE31576,
Z1695822014,
2-(2-bromophenyl)-1-(p-tolyl)ethanone,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.172g/mol |
| Monoisotopic Mass | 288.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number