| CAS Number | 1878-93-9 |
| Catalog Number | AG00B3PF(AGN-PC-0QH013) |
| Chemical Name | 2-(3-Iodophenoxy)acetic acid |
| IUPAC Name | 2-(3-iodophenoxy)acetic acid |
| InChI | InChI=1S/C8H7IO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChI Key | FNKRPPVPTWVSFF-UHFFFAOYSA-N |
| MDL Number | MFCD06823828 |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.0439 |
| SMILES | OC(COC1=CC(I)=CC=C1)=O |
| Synonyms | 2-(3-iodophenoxy)acetic acid,
1878-93-9,
ZINC36904157,
NE17999,
(3-Iodophenoxy)acetic acid,
3-iodophenoxyacetic acid,
(3-Iodo-phenoxy)-acetic acid,
SCHEMBL1614280,
CHEMBL3247407,
CTK8H3931,
FNKRPPVPTWVSFF-UHFFFAOYSA-N,
Acetic acid, 2-(3-iodophenoxy)-,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.045g/mol |
| Monoisotopic Mass | 277.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number