| CAS Number | 1245645-70-8 |
| Catalog Number | AG009Y9I(AGN-PC-0WNOH7) |
| Chemical Name | Ethyl 2-(3-iodopyridin-2-yl)acetate |
| IUPAC Name | ethyl 2-(3-iodopyridin-2-yl)acetate |
| InChI | InChI=1S/C9H10INO2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6H2,1H3 |
| InChI Key | OAZDOAQBMSUFCF-UHFFFAOYSA-N |
| MDL Number | MFCD15071681 |
| Molecular Formula | C9H10INO2 |
| Molecular Weight | 291.0857 |
| SMILES | O=C(OCC)CC1=NC=CC=C1I |
| Synonyms | ethyl 2-(3-iodopyridin-2-yl)acetate,
1245645-70-8,
(3-Iodo-pyridin-2-yl)-acetic acid ethyl ester,
CTK8C6566,
ethyl2-(3-iodopyridin-2-yl)acetate,
MFCD15071681,
ZINC51951682,
AKOS015843392,
AJ-111932,
DB-010169,
TC-063195,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.088g/mol |
| Monoisotopic Mass | 290.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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