| CAS Number | 1261977-17-6 |
| Catalog Number | AG009WWL(AGN-PC-0WNPOQ) |
| Chemical Name | 3-Bromo-5-[4-(ethoxycarbonyl)-3-fluorophenyl]phenol |
| IUPAC Name | ethyl 4-(3-bromo-5-hydroxyphenyl)-2-fluorobenzoate |
| InChI | InChI=1S/C15H12BrFO3/c1-2-20-15(19)13-4-3-9(7-14(13)17)10-5-11(16)8-12(18)6-10/h3-8,18H,2H2,1H3 |
| InChI Key | NHIBDYPEPVVATO-UHFFFAOYSA-N |
| MDL Number | MFCD18316156 |
| Molecular Formula | C15H12BrFO3 |
| Molecular Weight | 339.1564 |
| SMILES | CCOC(=O)c1ccc(cc1F)c1cc(O)cc(c1)Br |
| Synonyms | 3-BROMO-5-[4-(ETHOXYCARBONYL)-3-FLUOROPHENYL]PHENOL,
1261977-17-6,
C15H12BrFO3,
DTXSID10686475,
MFCD18316156,
ZINC65343950,
Z9259,
Ethyl 3'-bromo-3-fluoro-5'-hydroxy[1,1'-biphenyl]-4-carboxylate,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.16g/mol |
| Monoisotopic Mass | 337.995g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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