| CAS Number | 36255-23-9 |
| Catalog Number | AG00D2P6(AGN-PC-00MAPF) |
| Chemical Name | 2,4,6-Tribromo-3-methoxyaniline |
| IUPAC Name | 2,4,6-tribromo-3-methoxyaniline |
| InChI | InChI=1S/C7H6Br3NO/c1-12-7-4(9)2-3(8)6(11)5(7)10/h2H,11H2,1H3 |
| InChI Key | JZQCNZSTRKBXOU-UHFFFAOYSA-N |
| MDL Number | MFCD18968671 |
| Molecular Formula | C7H6Br3NO |
| Molecular Weight | 359.8406 |
| SMILES | COc1c(Br)cc(c(c1Br)N)Br |
| Synonyms | 2,4,6-Tribromo-3-methoxyaniline,
36255-23-9,
CTK8I4203,
DTXSID90539374,
ZINC196396777,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.798g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.843g/mol |
| Monoisotopic Mass | 356.8g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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