| CAS Number | 1225964-83-9 |
| Catalog Number | AG019PSV |
| Chemical Name | 4-(3-bromophenyl)-2-methyl-4-oxobutanoic acid |
| IUPAC Name | 4-(3-bromophenyl)-2-methyl-4-oxobutanoic acid |
| InChI | InChI=1S/C11H11BrO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,14,15) |
| InChI Key | ZDMLMHSWGFMFHO-UHFFFAOYSA-N |
| MDL Number | MFCD16068326 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | CC(C(O)=O)CC(C1=CC(Br)=CC=C1)=O |
| Synonyms | 4-(3-bromophenyl)-2-methyl-4-oxobutanoic acid,
1225964-83-9,
AKOS008148153,
MCULE-4370609376,
NE29290,
EN300-86394,
Z1259162089,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.11g/mol |
| Monoisotopic Mass | 269.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number