| CAS Number | 151719-92-5 |
| Catalog Number | AG01BFIF(AGN-PC-0LE4TS) |
| Chemical Name | 4-(3-chloropropoxy)-3-methoxybenzaldehyde |
| IUPAC Name | 4-(3-chloropropoxy)-3-methoxybenzaldehyde |
| InChI | InChI=1S/C11H13ClO3/c1-14-11-7-9(8-13)3-4-10(11)15-6-2-5-12/h3-4,7-8H,2,5-6H2,1H3 |
| InChI Key | SPGULLHQDRWGDU-UHFFFAOYSA-N |
| MDL Number | MFCD00021062 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | COC1=C(OCCCCl)C=CC(C=O)=C1 |
| Synonyms | 4-(3-chloropropoxy)-3-methoxybenzaldehyde,
151719-92-5,
AC1NE2PO,
SCHEMBL458083,
SPGULLHQDRWGDU-UHFFFAOYSA-N,
ZINC2163888,
AKOS000295462,
MCULE-2373579006,
4(3-chloropropoxy)-3-methoxybenzaldehyde,
4-(3chloropropoxy)-3-methoxybenzaldehyde,
3-methoxy-4-(3-chloropropoxy)benzaldehyde,
4-(3-CHLOROPROPOXY)-M-ANISALDEHYDE,
CID4610841,
4-(3-chloropropoxy)-3-methoxy-benzaldehyde,
Benzaldehyde, 4-(3-chloropropoxy)-3-methoxy-,
|
| Complexity | 187 |
| 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 | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number