| CAS Number | 886498-82-4 |
| Catalog Number | AG01EYD6(AGN-PC-3H48I6) |
| Chemical Name | 3-Chloro-6-hydroxy-2,5-dimethyl-benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxy-3,6-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-8(10)6(2)7(4-11)9(5)12/h3-4,12H,1-2H3 |
| InChI Key | DIYMGLXBYXWZBA-UHFFFAOYSA-N |
| MDL Number | MFCD06739528 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | C1(C=O)C(C)=C(Cl)C=C(C)C=1O |
| Synonyms | 3-Chloro-6-hydroxy-2,5-dimethyl-benzaldehyde,
886498-82-4,
AC1OGVAY,
CTK7H7967,
ZINC4299096,
AKOS000112568,
3-Chloro-6-hydroxy-2,5-dimethylbenzaldehyde,
5-chloro-2-hydroxy-3,6-dimethylbenzaldehyde,
ZINC04299096,
CID7176193,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number