| CAS Number | 1250731-69-1 |
| Catalog Number | AG01DV47 |
| Chemical Name | Methyl 2-chloro-2-(naphthalen-1-yl)acetate |
| IUPAC Name | methyl 2-chloro-2-naphthalen-1-ylacetate |
| InChI | InChI=1S/C13H11ClO2/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3 |
| InChI Key | YONDHNJWRATMAW-UHFFFAOYSA-N |
| MDL Number | MFCD16723902 |
| Molecular Formula | C13H11ClO2 |
| Molecular Weight | 234.6782 |
| SMILES | ClC(C(=O)OC)C1=CC=CC2=CC=CC=C12 |
| Synonyms | SCHEMBL11469390,
AKOS011508094,
methyl 2-chloro-2-(naphthalen-1-yl)acetate,
1250731-69-1,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.679g/mol |
| Monoisotopic Mass | 234.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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