| CAS Number | 103440-61-5 |
| Catalog Number | AG01BFJ0 |
| Chemical Name | 3-(2-Iodophenoxy)propanoic acid |
| IUPAC Name | 3-(2-iodophenoxy)propanoic acid |
| InChI | InChI=1S/C9H9IO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChI Key | HGBIIUZKYRIIOA-UHFFFAOYSA-N |
| MDL Number | MFCD12181701 |
| Molecular Formula | C9H9IO3 |
| Molecular Weight | 292.0704 |
| SMILES | OC(CCOC1=C(I)C=CC=C1)=O |
| Synonyms | 3-(2-iodophenoxy)propanoic acid,
103440-61-5,
ZINC35453833,
AKOS009513735,
NE34427,
3-(2-iodo-phenoxy)-propionic acid,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.072g/mol |
| Monoisotopic Mass | 291.96g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number