| CAS Number | 483316-01-4 |
| Catalog Number | AG00DD3L(AGN-PC-03N8I6) |
| Chemical Name | 4-Butoxy-3-chloro-5-methoxybenzaldehyde |
| IUPAC Name | 4-butoxy-3-chloro-5-methoxybenzaldehyde |
| InChI | InChI=1S/C12H15ClO3/c1-3-4-5-16-12-10(13)6-9(8-14)7-11(12)15-2/h6-8H,3-5H2,1-2H3 |
| InChI Key | SWBBWWCRHKXGAH-UHFFFAOYSA-N |
| MDL Number | MFCD02256352 |
| Molecular Formula | C12H15ClO3 |
| Molecular Weight | 242.6987 |
| SMILES | CCCCOC1=C(OC)C=C(C=O)C=C1Cl |
| Synonyms | 4-butoxy-3-chloro-5-methoxybenzaldehyde,
483316-01-4,
SCHEMBL4007449,
CTK4J0759,
DTXSID80624208,
ZINC2764837,
ZX-CM017396,
MFCD02256352,
SBB019920,
STK348831,
AKOS000304930,
MCULE-5662970463,
4-Butoxy-3-chloro-5-methoxy-benzaldehyde,
AJ-44202,
BB 0243277,
FT-0742835,
ST45168141,
EN300-227971,
W-9343,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.699g/mol |
| Monoisotopic Mass | 242.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number