| CAS Number | 1208077-24-0 |
| Catalog Number | AG01FF07(AGN-PC-3H4A3N) |
| Chemical Name | 4-bromo-2-iodo-3-methylaniline |
| IUPAC Name | 4-bromo-2-iodo-3-methylaniline |
| InChI | InChI=1S/C7H7BrIN/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3 |
| InChI Key | DOZVLCPXKOSQCE-UHFFFAOYSA-N |
| MDL Number | MFCD12547773 |
| Molecular Formula | C7H7BrIN |
| Molecular Weight | 311.9457 |
| SMILES | Brc1ccc(c(c1C)I)N |
| Synonyms | 4-Bromo-2-iodo-3-methylaniline,
1208077-24-0,
ZINC40571411,
AKOS027385808,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.948g/mol |
| Monoisotopic Mass | 310.881g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number