| CAS Number | 381234-84-0 |
| Catalog Number | AG00IT9M(AGN-PC-0KZMTW) |
| Chemical Name | methyl 3-[(4-fluorobenzyl)oxy]benzenecarboxylate |
| IUPAC Name | methyl 3-[(4-fluorophenyl)methoxy]benzoate |
| InChI | InChI=1S/C15H13FO3/c1-18-15(17)12-3-2-4-14(9-12)19-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3 |
| InChI Key | GCBXSXBGZKTEGP-UHFFFAOYSA-N |
| MDL Number | MFCD05670300 |
| Molecular Formula | C15H13FO3 |
| Molecular Weight | 260.2603 |
| SMILES | FC2(=CC=C(COC1(=CC(C(=O)OC)=CC=C1))C=C2) |
| Synonyms | methyl 3-[(4-fluorophenyl)methoxy]benzoate,
381234-84-0,
methyl 3-[(4-fluorobenzyl)oxy]benzenecarboxylate,
AC1MWYYL,
SCHEMBL6415086,
GCBXSXBGZKTEGP-UHFFFAOYSA-N,
ZINC4109988,
AKOS005109987,
methyl 3-(4-fluorobenzyloxy)-benzoate,
MCULE-3807245694,
MS-2974,
KS-0000289M,
methyl 3-[(4-fluorobenzyl)oxy]benzoate,
SR-01000308698,
SR-01000308698-1,
ZINC04109988,
CID3757313,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number