| CAS Number | 270081-83-9 |
| Catalog Number | AG019S48 |
| Chemical Name | Methyl 2-[(6-bromonaphthalen-2-yl)oxy]acetate |
| IUPAC Name | methyl 2-(6-bromonaphthalen-2-yl)oxyacetate |
| InChI | InChI=1S/C13H11BrO3/c1-16-13(15)8-17-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-7H,8H2,1H3 |
| InChI Key | RTUAGHYUPYVOOK-UHFFFAOYSA-N |
| MDL Number | MFCD10689367 |
| Molecular Formula | C13H11BrO3 |
| Molecular Weight | 295.1286 |
| SMILES | COC(COC1=CC2=C(C=C(C=C2)Br)C=C1)=O |
| Synonyms | methyl 2-[(6-bromonaphthalen-2-yl)oxy]acetate,
270081-83-9,
ZINC34936568,
AKOS005201018,
MCULE-6943285603,
NE26683,
EN300-91707,
A1-11734,
Z18526129,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.132g/mol |
| Monoisotopic Mass | 293.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number