| CAS Number | 90794-29-9 |
| Catalog Number | AG006M2Y(AGN-PC-00228F) |
| Chemical Name | Benzeneacetic acid, 2-iodo-, ethyl ester |
| IUPAC Name | ethyl 2-(2-iodophenyl)acetate |
| InChI | InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3 |
| InChI Key | XBKDPADMOCFNED-UHFFFAOYSA-N |
| MDL Number | MFCD00099258 |
| Molecular Formula | C10H11IO2 |
| Molecular Weight | 290.0976 |
| SMILES | C(C(=O)OCC)c1c(I)cccc1 |
| Synonyms | Ethyl 2-(2-iodophenyl)acetate,
90794-29-9,
Ethyl (2-iodophenyl)acetate,
SCHEMBL5132516,
CTK3I1530,
DTXSID90562460,
2-Iodobenzeneacetic acid ethyl ester,
MFCD00099258,
ZINC98177681,
AKOS022187054,
DS-8648,
AK146854,
Benzeneacetic acid, 2-iodo-, ethyl ester,
AJ-138786,
CS-0041136,
ACN-052976,
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| Complexity | 170 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number