| CAS Number | 72482-14-5 |
| Catalog Number | AG00FCCA(AGN-PC-00M5JW) |
| Chemical Name | 2,4-DIMETHOXY-3-CHLOROBENZALDEHYDE |
| IUPAC Name | 3-chloro-2,4-dimethoxybenzaldehyde |
| InChI | InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)9(13-2)8(7)10/h3-5H,1-2H3 |
| InChI Key | XBWCSKPPTSIOOA-UHFFFAOYSA-N |
| MDL Number | MFCD09835191 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | O=CC1=CC=C(OC)C(Cl)=C1OC |
| Synonyms | 3-Chloro-2,4-dimethoxybenzaldehyde,
72482-14-5,
2,4-Dimethoxy-3-chlorobenzaldehyde,
PubChem4203,
Benzaldehyde, 3-chloro-2,4-dimethoxy-,
SCHEMBL4011543,
CTK2H2403,
DTXSID50537573,
XBWCSKPPTSIOOA-UHFFFAOYSA-N,
MFCD09835191,
ZINC39615184,
AJ-100422,
CS-0038073,
FT-0695510,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number