| CAS Number | 828272-37-3 |
| Catalog Number | AG004SXQ(AGN-PC-0WB4T9) |
| Chemical Name | 5-Chloro-3-methoxy-2-propoxybenzaldehyde |
| IUPAC Name | 5-chloro-3-methoxy-2-propoxybenzaldehyde |
| InChI | InChI=1S/C11H13ClO3/c1-3-4-15-11-8(7-13)5-9(12)6-10(11)14-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | ZBGLATICPAWALQ-UHFFFAOYSA-N |
| MDL Number | MFCD04129571 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | C1(C=O)C=C(Cl)C=C(OC)C=1OCCC |
| Synonyms | 5-chloro-3-methoxy-2-propoxybenzaldehyde,
828272-37-3,
CTK5F0118,
DTXSID70598863,
AKOS B028916,
ZINC2782489,
ZX-CM017395,
MFCD04129571,
STK399860,
AKOS000312937,
MCULE-1658317819,
AJ-44230,
ST45071963,
Y-1244,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.672g/mol |
| Monoisotopic Mass | 228.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number