| CAS Number | 1000576-24-8 |
| Catalog Number | AG01FDAA(AGN-PC-3H49OM) |
| Chemical Name | 5-Nitro-indole-6-carboxylic Acid |
| IUPAC Name | 4,6-dibromo-3-fluoro-2-methylaniline |
| InChI | InChI=1S/C7H6Br2FN/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3 |
| InChI Key | UUASIFHVSSSHAB-UHFFFAOYSA-N |
| MDL Number | MFCD20923486 |
| Molecular Formula | C7H6Br2FN |
| Molecular Weight | 282.9356 |
| SMILES | BrC1=C(C(=C(N)C(=C1)Br)C)F |
| Synonyms | 2,4-Dibromo-5-fluoro-6-methylaniline,
1000576-24-8,
ZINC15443751,
AKOS026670747,
4,6-dibromo-3-fluoro-2-methylaniline,
4,6-Dibromo-3-fluoro-2-methylbenzenamine,
W-2126,
1352396-71-4,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.938g/mol |
| Monoisotopic Mass | 280.885g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number