| CAS Number | 34645-72-2 |
| Catalog Number | AG00CKF0(AGN-PC-0RA11A) |
| Chemical Name | 2-(4-Iodophenyl)propanoic acid |
| IUPAC Name | 2-(4-iodophenyl)propanoic acid |
| InChI | InChI=1S/C9H9IO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12) |
| InChI Key | RMPXUPUAZGKDBN-UHFFFAOYSA-N |
| MDL Number | MFCD11036898 |
| Molecular Formula | C9H9IO2 |
| Molecular Weight | 276.0710 |
| SMILES | CC(C1=CC=C(C=C1)I)C(=O)O |
| Synonyms | 2-(4-iodophenyl)propanoic acid,
34645-72-2,
2-(4-Iodophenyl)propionic acid,
C9H9IO2,
2-(4-Iodo-phenyl)-propionic acid,
SCHEMBL462541,
2-(4-iodophenyl)propanoicacid,
Ethyl2-(4-iodophenyl)propanoate,
RMPXUPUAZGKDBN-UHFFFAOYSA-N,
AKOS027460446,
SB01003,
Benzeneacetic acid, 4-iodo-alpha-Methyl,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.073g/mol |
| Monoisotopic Mass | 275.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number