| CAS Number | 872183-59-0 |
| Catalog Number | AG004JE7(AGN-PC-0WB4KV) |
| Chemical Name | 4-(Sec-butoxy)-3-chloro-5-methoxybenzaldehyde |
| IUPAC Name | 4-butan-2-yloxy-3-chloro-5-methoxybenzaldehyde |
| InChI | InChI=1S/C12H15ClO3/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-8H,4H2,1-3H3 |
| InChI Key | MCQWSEMSJCICFW-UHFFFAOYSA-N |
| MDL Number | MFCD02629670 |
| Molecular Formula | C12H15ClO3 |
| Molecular Weight | 242.6987 |
| SMILES | CCC(Oc1c(Cl)cc(cc1OC)C=O)C |
| Synonyms | 872183-59-0,
4-SEC-BUTOXY-3-CHLORO-5-METHOXYBENZALDEHYDE,
4-(Sec-butoxy)-3-chloro-5-methoxybenzaldehyde,
CTK5F8099,
DTXSID80611395,
CHEMBRDG-BB 6539175,
ZX-CM016765,
MFCD02629670,
AKOS000297313,
AKOS016050277,
W-9554,
4-[(Butan-2-yl)oxy]-3-chloro-5-methoxybenzaldehyde,
CHEMBRDG-BB6539175,
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| Complexity | 222 |
| 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 | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number