| CAS Number | 1461708-15-5 |
| Catalog Number | AG01A6DW |
| Chemical Name | methyl 2-(benzyloxy)-5-chloro-4-methylbenzoate |
| IUPAC Name | methyl 5-chloro-4-methyl-2-phenylmethoxybenzoate |
| InChI | InChI=1S/C16H15ClO3/c1-11-8-15(13(9-14(11)17)16(18)19-2)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3 |
| InChI Key | RRTXSMMVOCOJTH-UHFFFAOYSA-N |
| MDL Number | MFCD26407587 |
| Molecular Formula | C16H15ClO3 |
| Molecular Weight | 290.7415 |
| SMILES | COC(C1=C(OCC2=CC=CC=C2)C=C(C)C(Cl)=C1)=O |
| Synonyms | methyl 2-(benzyloxy)-5-chloro-4-methylbenzoate,
1461708-15-5,
ZINC95469414,
AKOS033509580,
MCULE-4338395228,
Z1655103993,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.743g/mol |
| Monoisotopic Mass | 290.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number