| CAS Number | 1414029-17-6 |
| Catalog Number | AG009WSN(AGN-PC-0WADT9) |
| Chemical Name | Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate |
| IUPAC Name | methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate |
| InChI | InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-10(13(11)8-17)12-7-9(18)5-6-14(12)16/h2-8,18H,1H3 |
| InChI Key | OFAPTLAKCGKOGK-UHFFFAOYSA-N |
| MDL Number | MFCD22574957 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | COC(=O)c1cccc(c1C=O)c1cc(O)ccc1Cl |
| Synonyms | 1414029-17-6,
Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate,
Methyl 2'-chloro-2-formyl-5'-hydroxy-[1,1'-biphenyl]-3-carboxylate,
ZINC95218065,
AKOS027374957,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.699g/mol |
| Monoisotopic Mass | 290.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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