| CAS Number | 1186603-47-3 |
| Catalog Number | AG0094X2(AGN-PC-0WNGKP) |
| Chemical Name | 5-Chloro-2-(phenylethynyl)benzaldehyde |
| IUPAC Name | 5-chloro-2-(2-phenylethynyl)benzaldehyde |
| InChI | InChI=1S/C15H9ClO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChI Key | HXSGNDDPFCKTOS-UHFFFAOYSA-N |
| MDL Number | MFCD28359712 |
| Molecular Formula | C15H9ClO |
| Molecular Weight | 240.6844 |
| SMILES | ClC=1C=CC(=C(C=O)C1)C#CC1=CC=CC=C1 |
| Synonyms | 5-Chloro-2-(phenylethynyl)benzaldehyde,
1186603-47-3,
KS-00000LUC,
MFCD28359712,
ZINC145738086,
2-(Phenylethynyl)-5-chlorobenzaldehyde,
5-chloro-2-(2-phenylethynyl)benzaldehyde,
AK431653,
DS-18770,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.686g/mol |
| Monoisotopic Mass | 240.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number