| CAS Number | 74586-54-2 |
| Catalog Number | AG01BAKE(AGN-PC-02JB7Z) |
| Chemical Name | 3-Iodo-5-methylaniline |
| IUPAC Name | 3-iodo-5-methylaniline |
| InChI | InChI=1S/C7H8IN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3 |
| InChI Key | LOUHGQOWBDORSI-UHFFFAOYSA-N |
| MDL Number | MFCD12965021 |
| Molecular Formula | C7H8IN |
| Molecular Weight | 233.0496 |
| SMILES | NC1=CC(C)=CC(I)=C1 |
| Synonyms | 3-Iodo-5-methylaniline,
74586-54-2,
PubChem9922,
SCHEMBL8773072,
Jsp001935,
DTXSID60599420,
LOUHGQOWBDORSI-UHFFFAOYSA-N,
ZINC75629717,
AKOS033752144,
FT-0713805,
Z2050687833,
3-iodo-5-methylBenzenamine,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.052g/mol |
| Monoisotopic Mass | 232.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number