| CAS Number | 693237-06-8 |
| Catalog Number | AG01DWLO |
| Chemical Name | 3-[(4-iodophenoxy)methyl]benzoic Acid |
| IUPAC Name | 3-[(4-iodophenoxy)methyl]benzoic acid |
| InChI | InChI=1S/C14H11IO3/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChI Key | NJIXMABUNWZLTF-UHFFFAOYSA-N |
| MDL Number | MFCD04209586 |
| Molecular Formula | C14H11IO3 |
| Molecular Weight | 354.1398 |
| SMILES | OC(C1=CC(COC2=CC=C(I)C=C2)=CC=C1)=O |
| Synonyms | 3-[(4-iodophenoxy)methyl]benzoic Acid,
3-(4-IODOPHENOXYMETHYL)BENZOIC ACID,
AC1M3M53,
ZINC2836260,
AKOS006032412,
MCULE-5625130539,
SR-01000264571,
SR-01000264571-1,
693237-06-8,
CID2192771,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.143g/mol |
| Monoisotopic Mass | 353.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number