| CAS Number | 861547-59-3 |
| Catalog Number | AG01AMXM |
| Chemical Name | 4-iodo-2-(methylamino)benzoic acid |
| IUPAC Name | 4-iodo-2-(methylamino)benzoic acid |
| InChI | InChI=1S/C8H8INO2/c1-10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) |
| InChI Key | VXELOMGMAXRELV-UHFFFAOYSA-N |
| MDL Number | MFCD29034061 |
| Molecular Formula | C8H8INO2 |
| Molecular Weight | 277.0591 |
| SMILES | CNC1=C(C(O)=O)C=CC(I)=C1 |
| Synonyms | 4-iodo-2-(methylamino)benzoic acid,
861547-59-3,
AKOS033816238,
ZINC238856397,
Z2235409276,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.061g/mol |
| Monoisotopic Mass | 276.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number