| CAS Number | 40460-91-1 |
| Catalog Number | AG01C6LK(AGN-PC-0RNHMG) |
| Chemical Name | 2-(4-Bromophenyl)propanal |
| IUPAC Name | 2-(4-bromophenyl)propanal |
| InChI | InChI=1S/C9H9BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3 |
| InChI Key | WJTCCULQAHZZRE-UHFFFAOYSA-N |
| MDL Number | MFCD11936753 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | CC(C1=CC=C(Br)C=C1)C=O |
| Synonyms | 2-(4-Bromophenyl)propanal,
40460-91-1,
AC1LC3ST,
SCHEMBL686436,
2-(4-Bromophenyl)propanal #,
CTK7H7689,
WJTCCULQAHZZRE-UHFFFAOYSA-N,
AKOS015150761,
Benzeneacetaldehyde, 4-bromo-.alpha.-methyl-,
F8884-2416,
2-(4-bromo-phenyl)-propionaldehyde,
CID569059,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number