| CAS Number | 125340-12-7 |
| Catalog Number | AG01DNMM |
| Chemical Name | 2-Chloro-3,5-dimethylbenzaldehyde |
| IUPAC Name | 2-chloro-3,5-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9ClO/c1-6-3-7(2)9(10)8(4-6)5-11/h3-5H,1-2H3 |
| InChI Key | YQIJSPJSDUXDLH-UHFFFAOYSA-N |
| MDL Number | MFCD11846007 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | C1(C)=CC(C)=CC(C=O)=C1Cl |
| Synonyms | 2-Chloro-3,5-dimethylbenzaldehyde,
125340-12-7,
DTXSID10560943,
MFCD11846007,
ZINC36532842,
AKOS006346067,
Y3964,
Q-7489,
C9H9ClO,
|
| 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