| CAS Number | 1160574-50-4 |
| Catalog Number | AG01FF4U(AGN-PC-3H4A48) |
| Chemical Name | 3-Bromo-2-iodo-5-nitroanisole |
| IUPAC Name | 1-bromo-2-iodo-3-methoxy-5-nitrobenzene |
| InChI | InChI=1S/C7H5BrINO3/c1-13-6-3-4(10(11)12)2-5(8)7(6)9/h2-3H,1H3 |
| InChI Key | FEKKRBFCDJPVCH-UHFFFAOYSA-N |
| MDL Number | MFCD11846079 |
| Molecular Formula | C7H5BrINO3 |
| Molecular Weight | 357.928 |
| SMILES | COc1cc(cc(c1I)Br)[N+](=O)[O-] |
| Synonyms | 3-Bromo-2-iodo-5-nitroanisole,
1160574-50-4,
ZINC36532922,
AKOS025132000,
1-bromo-2-iodo-3-methoxy-5-nitrobenzene,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.85g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.929g/mol |
| Monoisotopic Mass | 356.85g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number