| CAS Number | 116680-98-9 |
| Catalog Number | AG01A9HL(AGN-PC-05WLG4) |
| Chemical Name | 5-(4-Iodophenyl)pentanoic acid |
| IUPAC Name | 5-(4-iodophenyl)pentanoic acid |
| InChI | InChI=1S/C11H13IO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14) |
| InChI Key | AVVFIQYGBUOFDN-UHFFFAOYSA-N |
| MDL Number | MFCD11188214 |
| Molecular Formula | C11H13IO2 |
| Molecular Weight | 304.1242 |
| SMILES | C1=CC(=CC=C1CCCCC(=O)O)I |
| Synonyms | 5-(4-iodophenyl)pentanoic acid,
116680-98-9,
4-iodoBenzenepentanoic acid,
AC1Q75EY,
5-(4-iodophenyl)valeric acid,
SCHEMBL2197174,
AVVFIQYGBUOFDN-UHFFFAOYSA-N,
ZINC4216583,
AKOS009242421,
MCULE-8575617498,
NE15081,
DA-15116,
FT-0744359,
EN300-65121,
Z1259161873,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.127g/mol |
| Monoisotopic Mass | 303.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number