| CAS Number | 57592-44-6 |
| Catalog Number | AG01BVL0 |
| Chemical Name | 3-Chloro-4-phenylbenzaldehyde |
| IUPAC Name | 3-chloro-4-phenylbenzaldehyde |
| InChI | InChI=1S/C13H9ClO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H |
| InChI Key | ZUHNTBRGYUKODM-UHFFFAOYSA-N |
| MDL Number | MFCD30476460 |
| Molecular Formula | C13H9ClO |
| Molecular Weight | 216.6630 |
| SMILES | O=CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1 |
| Synonyms | 3-chloro-4-phenylbenzaldehyde,
57592-44-6,
SCHEMBL4035480,
ZINC146123377,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.664g/mol |
| Monoisotopic Mass | 216.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number