| CAS Number | 78489-65-3 |
| Catalog Number | AG00ICY6(AGN-PC-0WOJB4) |
| Chemical Name | Ethyl alpha-Iodophenylacetate |
| IUPAC Name | ethyl 2-iodo-2-phenylacetate |
| InChI | InChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChI Key | GFYUBPKXVMWINH-UHFFFAOYSA-N |
| MDL Number | MFCD29905039 |
| Molecular Formula | C10H11IO2 |
| Molecular Weight | 290.0976 |
| SMILES | O=C(OCC)C(I)C1=CC=CC=C1 |
| Synonyms | Ethyl alpha-Iodophenylacetate,
ethyl 2-iodo-2-phenylacetate,
alpha-Iodophenylacetic Acid Ethyl Ester,
78489-65-3,
SCHEMBL8872032,
GFYUBPKXVMWINH-UHFFFAOYSA-,
Iodophenylacetic acid ethyl ester,
2-Iodo-2-phenylacetic Acid Ethyl Ester,
E1200,
InChI=1/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.1g/mol |
| Monoisotopic Mass | 289.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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