| CAS Number | 914262-72-9 |
| Catalog Number | AG01EHCQ(AGN-PC-0VSC7E) |
| Chemical Name | Ethyl 7-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate |
| IUPAC Name | ethyl 7-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate |
| InChI | InChI=1S/C13H13BrO3/c1-2-17-13(16)10-6-4-8-3-5-9(14)7-11(8)12(10)15/h3,5,7,10H,2,4,6H2,1H3 |
| InChI Key | NVPPZACQBBTTSF-UHFFFAOYSA-N |
| MDL Number | MFCD24539298 |
| Molecular Formula | C13H13BrO3 |
| Molecular Weight | 297.1445 |
| SMILES | CCOC(=O)C1CCc2c(C1=O)cc(cc2)Br |
| Synonyms | ethyl 7-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate,
914262-72-9,
SCHEMBL449624,
NVPPZACQBBTTSF-UHFFFAOYSA-N,
ethyl 7-bromo-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.148g/mol |
| Monoisotopic Mass | 296.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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