| CAS Number | 20900-22-5 |
| Catalog Number | AG00C49Y(AGN-PC-034ESG) |
| Chemical Name | 1-Bromo-4-ethoxynaphthalene |
| IUPAC Name | 1-bromo-4-ethoxynaphthalene |
| InChI | InChI=1S/C12H11BrO/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,2H2,1H3 |
| InChI Key | WCCMJOJYAZRKFT-UHFFFAOYSA-N |
| MDL Number | MFCD17012232 |
| Molecular Formula | C12H11BrO |
| Molecular Weight | 251.1191 |
| SMILES | CCOc1ccc(c2c1cccc2)Br |
| Synonyms | 1-Bromo-4-ethoxynaphthalene,
20900-22-5,
Naphthalene, 1-bromo-4-ethoxy-,
SCHEMBL9066758,
DTXSID00610209,
MFCD17012232,
ZINC71256582,
AKOS028110001,
DB-083615,
CS-0060377,
FT-0723382,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.123g/mol |
| Monoisotopic Mass | 249.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number