| CAS Number | 89938-55-6 |
| Catalog Number | AG01BRUS(AGN-PC-0C2RPV) |
| Chemical Name | 2-Chloro-5-hydroxy-4-methoxybenzaldehyde |
| IUPAC Name | 2-chloro-5-hydroxy-4-methoxybenzaldehyde |
| InChI | InChI=1S/C8H7ClO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3 |
| InChI Key | GCWUQIASOQMXGR-UHFFFAOYSA-N |
| MDL Number | MFCD20485283 |
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.5924 |
| SMILES | COC1=C(O)C=C(C=O)C(Cl)=C1 |
| Synonyms | 2-Chloro-5-hydroxy-4-methoxybenzaldehyde,
89938-55-6,
SCHEMBL3252930,
GCWUQIASOQMXGR-UHFFFAOYSA-N,
ZINC146025367,
2-Chloro-4-methoxy-5-hydroxybenzaldehyde,
2-Chloro-5-hydroxy-4-methoxy-benzaldehyde,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.591g/mol |
| Monoisotopic Mass | 186.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number