| CAS Number | 38042-10-3 |
| Catalog Number | AG01C6M9(AGN-PC-0RFBKA) |
| Chemical Name | 2-(4-Chlorophenyl)propanal |
| IUPAC Name | 2-(4-chlorophenyl)propanal |
| InChI | InChI=1S/C9H9ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3 |
| InChI Key | QZJGYKZZJQQIEP-UHFFFAOYSA-N |
| MDL Number | MFCD11558994 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | CC(C1=CC=C(Cl)C=C1)C=O |
| Synonyms | 2-(4-Chlorophenyl)propanal,
38042-10-3,
2-(4-CHLORO-PHENYL)-PROPIONALDEHYDE,
2-(4-chlorophenyl)propionaldehyde,
QZJGYKZZJQQIEP-UHFFFAOYSA-N,
AC1LBQ15,
SCHEMBL96817,
2-(4-Chlorophenyl)propanal #,
DTXSID30343058,
AKOS006315141,
BC681644,
Benzeneacetaldehyde, 4-chloro-.alpha.-methyl-,
F8884-2210,
286964-62-3,
CID587036,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number