| CAS Number | 1707584-13-1 |
| Catalog Number | AG01BV0U |
| Chemical Name | 2,5-dichloro-4-(propan-2-yloxy)benzaldehyde |
| IUPAC Name | 2,5-dichloro-4-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C10H10Cl2O2/c1-6(2)14-10-4-8(11)7(5-13)3-9(10)12/h3-6H,1-2H3 |
| InChI Key | ZCNIIBHLUSAQBN-UHFFFAOYSA-N |
| MDL Number | MFCD26128282 |
| Molecular Formula | C10H10Cl2O2 |
| Molecular Weight | 233.0912 |
| SMILES | CC(OC1=C(Cl)C=C(C=O)C(Cl)=C1)C |
| Synonyms | 1707584-13-1,
2,5-Dichloro-4-isopropoxybenzaldehyde,
2,5-dichloro-4-(propan-2-yloxy)benzaldehyde,
ZINC89261833,
AKOS027457849,
2,5-Dichloro-4-isopropoxy-benzaldehyde,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.088g/mol |
| Monoisotopic Mass | 232.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number