| CAS Number | 1393442-20-0 |
| Catalog Number | AG009WZX(AGN-PC-0WADSH) |
| Chemical Name | Methyl 2-fluoro-5-(4-formylphenyl)benzoate |
| IUPAC Name | methyl 2-fluoro-5-(4-formylphenyl)benzoate |
| InChI | InChI=1S/C15H11FO3/c1-19-15(18)13-8-12(6-7-14(13)16)11-4-2-10(9-17)3-5-11/h2-9H,1H3 |
| InChI Key | PULSTZYYRGUBOM-UHFFFAOYSA-N |
| MDL Number | MFCD22383729 |
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.2444 |
| SMILES | O=Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F |
| Synonyms | Methyl 2-fluoro-5-(4-formylphenyl)benzoate,
1393442-20-0,
ZINC95495659,
AKOS026673180,
V2931,
B-8973,
C15H11FO3,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.248g/mol |
| Monoisotopic Mass | 258.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number