| CAS Number | 866490-24-6 |
| Catalog Number | AG00IE5V(AGN-PC-03YISF) |
| Chemical Name | 4-Chloro-2,5-dimethylbenzaldehyde |
| IUPAC Name | 4-chloro-2,5-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9ClO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-5H,1-2H3 |
| InChI Key | OIGSQHBNPDFERB-UHFFFAOYSA-N |
| MDL Number | MFCD08705800 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | c1(c(cc(c(c1)Cl)C)C=O)C |
| Synonyms | 4-Chloro-2,5-dimethylbenzaldehyde,
866490-24-6,
SCHEMBL5385995,
MFCD11845878,
ZINC36532729,
AKOS013490942,
AS05551,
CM11874,
|
| Complexity | 147 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number