| CAS Number | 1160573-34-1 |
| Catalog Number | AG01FEB2(AGN-PC-3H4A1D) |
| Chemical Name | 2,5-dichloro-3-methylbenzaldehyde |
| IUPAC Name | 2,5-dichloro-3-methylbenzaldehyde |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-7(9)3-6(4-11)8(5)10/h2-4H,1H3 |
| InChI Key | RIHHQUIEAPKOKR-UHFFFAOYSA-N |
| MDL Number | MFCD11846003 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | O=Cc1cc(Cl)cc(c1Cl)C |
| Synonyms | 2,5-Dichloro-3-methylbenzaldehyde,
1160573-34-1,
ZINC36532838,
AKOS006346065,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.035g/mol |
| Monoisotopic Mass | 187.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number