| CAS Number | 32454-16-3 |
| Catalog Number | AG00C6S3(AGN-PC-0R7RG0) |
| Chemical Name | 2-(4-Bromophenyl)-2-methylpropanal |
| IUPAC Name | 2-(4-bromophenyl)-2-methylpropanal |
| InChI | InChI=1S/C10H11BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3 |
| InChI Key | WDCNOQSTJRGLOG-UHFFFAOYSA-N |
| MDL Number | MFCD16314183 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | O=CC(C)(C)C1=CC=C(C=C1)Br |
| Synonyms | 2-(4-bromophenyl)-2-methylpropanal,
32454-16-3,
SCHEMBL3053977,
WDCNOQSTJRGLOG-UHFFFAOYSA-N,
ZINC34080928,
DA-06893,
FT-0723746,
Benzeneacetaldehyde, 4-bromo-alpha,alpha-dimethyl-,
2-(4-bromophenyl)-2-methyl-propanal,
CID10013947,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.101g/mol |
| Monoisotopic Mass | 225.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number