| CAS Number | 57498-62-1 |
| Catalog Number | AG003LKS(AGN-PC-0WNOHX) |
| Chemical Name | 4'-Iodobiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(4-iodophenyl)benzoic acid |
| InChI | InChI=1S/C13H9IO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16) |
| InChI Key | XMIVQLVJWMCPDK-UHFFFAOYSA-N |
| MDL Number | MFCD15143486 |
| Molecular Formula | C13H9IO2 |
| Molecular Weight | 324.1138 |
| SMILES | Ic1ccc(cc1)c1cccc(c1)C(=O)O |
| Synonyms | 4'-IODOBIPHENYL-3-CARBOXYLIC ACID,
57498-62-1,
SCHEMBL11345464,
CTK5A6971,
DTXSID50567335,
MFCD15143486,
ZINC34440527,
AKOS015853624,
TR-037142,
4'-Iodo[1,1'-biphenyl]-3-carboxylic acid,
4-Iodobiphenyl-3-carboxylic acid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.117g/mol |
| Monoisotopic Mass | 323.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number