| CAS Number | 84403-77-0 |
| Catalog Number | AG00IW2G(AGN-PC-0WAXFX) |
| Chemical Name | methyl 4-[(3-chlorobenzyl)oxy]benzenecarboxylate |
| IUPAC Name | methyl 4-[(3-chlorophenyl)methoxy]benzoate |
| InChI | InChI=1S/C15H13ClO3/c1-18-15(17)12-5-7-14(8-6-12)19-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3 |
| InChI Key | MWXJGMLEBMTAHJ-UHFFFAOYSA-N |
| MDL Number | MFCD01568712 |
| Molecular Formula | C15H13ClO3 |
| Molecular Weight | 276.7149 |
| SMILES | ClC1(=CC(=CC=C1)COC2(=CC=C(C(=O)OC)C=C2)) |
| Synonyms | methyl 4-[(3-chlorophenyl)methoxy]benzoate,
methyl 4-[(3-chlorobenzyl)oxy]benzenecarboxylate,
84403-77-0,
AC1LSJ5I,
CHEMBL454289,
KS-000021FQ,
ZINC1403591,
methyl 4-(3-chlorobenzyloxy)benzoate,
AKOS005103935,
MCULE-9835557645,
9N-055,
ZINC01403591,
CID1488841,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.716g/mol |
| Monoisotopic Mass | 276.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number