| CAS Number | 443647-21-0 |
| Catalog Number | AG019F0I |
| Chemical Name | (4-Bromo-naphthalen-1-yloxy)-acetic acid Methyl ester |
| IUPAC Name | methyl 2-(4-bromonaphthalen-1-yl)oxyacetate |
| InChI | InChI=1S/C13H11BrO3/c1-16-13(15)8-17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8H2,1H3 |
| InChI Key | YDXLVMALIINXEB-UHFFFAOYSA-N |
| MDL Number | MFCD03129267 |
| Molecular Formula | C13H11BrO3 |
| Molecular Weight | 295.1286 |
| SMILES | BrC1=CC=C(C2=CC=CC=C12)OCC(=O)OC |
| Synonyms | (4-Bromo-naphthalen-1-yloxy)-acetic acid Methyl ester,
443647-21-0,
methyl [(4-bromo-1-naphthyl)oxy]acetate,
AC1LEJ2T,
methyl [(4-bromonaphthalen-1-yl)oxy]acetate,
methyl 2-(4-bromonaphthalen-1-yl)oxyacetate,
ARONIS000500,
ZINC54737,
KS-00003U6K,
STK100197,
methyl 2-(4-bromonaphthyloxy)acetate,
AKOS000490308,
MCULE-8658773614,
ST035482,
BB0277872,
CS-0061885,
Methyl 2-((4-bromonaphthalen-1-yl)oxy)acetate,
AN-329/41044345,
CID687012,
ZINC00054737,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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