| CAS Number | 832674-55-2 |
| Catalog Number | AG00IDAB(AGN-PC-0WB8PJ) |
| Chemical Name | 3-Chloro-5-methoxy-4-propoxybenzaldehyde |
| IUPAC Name | 3-chloro-5-methoxy-4-propoxybenzaldehyde |
| InChI | InChI=1S/C11H13ClO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | ZBXJCSOGXRWPJJ-UHFFFAOYSA-N |
| MDL Number | MFCD02256346 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | CCCOC1=C(C=C(C=C1OC)C=O)Cl |
| Synonyms | 3-chloro-5-methoxy-4-propoxybenzaldehyde,
832674-55-2,
AC1M2EDR,
AC1Q2YCM,
SCHEMBL13221149,
CTK6E5710,
ZINC2767733,
MFCD02256346,
SBB019919,
STK347078,
AKOS000268981,
MCULE-1674042706,
NE12074,
ST45169319,
EN300-11628,
J-512274,
3-chloro-5-methoxy-4-propoxybenzaldehyde, AldrichCPR,
ZINC02767733,
CID2168662,
3-chloro-5-methoxy-4-propoxy-benzaldehyde,
|
| 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
Certificate of Analysis
Lot Number