| CAS Number | 1393442-35-7 |
| Catalog Number | AG009WYZ(AGN-PC-0WAD32) |
| Chemical Name | Ethyl 2-fluoro-4-(4-formylphenyl)benzoate |
| IUPAC Name | ethyl 2-fluoro-4-(4-formylphenyl)benzoate |
| InChI | InChI=1S/C16H13FO3/c1-2-20-16(19)14-8-7-13(9-15(14)17)12-5-3-11(10-18)4-6-12/h3-10H,2H2,1H3 |
| InChI Key | VGMXGDSSWKQJOW-UHFFFAOYSA-N |
| MDL Number | MFCD22383733 |
| Molecular Formula | C16H13FO3 |
| Molecular Weight | 272.2710 |
| SMILES | CCOC(=O)c1ccc(cc1F)c1ccc(cc1)C=O |
| Synonyms | Ethyl 2-fluoro-4-(4-formylphenyl)benzoate,
1393442-35-7,
ZINC95495663,
V2942,
C16H13FO3,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.275g/mol |
| Monoisotopic Mass | 272.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number