| CAS Number | 1155408-24-4 |
| Catalog Number | AG00HD0L(AGN-PC-0WR78R) |
| Chemical Name | methyl 3-fluoro-4-[4-(methoxycarbonyl)phenyl]benzoate |
| IUPAC Name | methyl 3-fluoro-4-(4-methoxycarbonylphenyl)benzoate |
| InChI | InChI=1S/C16H13FO4/c1-20-15(18)11-5-3-10(4-6-11)13-8-7-12(9-14(13)17)16(19)21-2/h3-9H,1-2H3 |
| InChI Key | TZEPKOAATCRICF-UHFFFAOYSA-N |
| MDL Number | MFCD27578733 |
| Molecular Formula | C16H13FO4 |
| Molecular Weight | 288.2704 |
| SMILES | COC(=O)c1ccc(cc1)c1ccc(cc1F)C(=O)OC |
| Synonyms | methyl 3-fluoro-4-[4-(methoxycarbonyl)phenyl]benzoate,
1155408-24-4,
ZINC97757173,
dimethyl 2-fluorobiphenyl-4,4'-dicarboxylate,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.274g/mol |
| Monoisotopic Mass | 288.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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