| CAS Number | 868694-19-3 |
| Catalog Number | AG004M55(AGN-PC-020IA6) |
| Chemical Name | 5-Bromo-3-iodo-1H-indole |
| IUPAC Name | 5-bromo-3-iodo-1H-indole |
| InChI | InChI=1S/C8H5BrIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H |
| InChI Key | OCYVXFHJBHFPSD-UHFFFAOYSA-N |
| MDL Number | MFCD13177472 |
| Molecular Formula | C8H5BrIN |
| Molecular Weight | 321.9405 |
| SMILES | BrC=1C=C2C(=CNC2=CC1)I |
| Synonyms | 5-Bromo-3-iodo-1H-indole,
868694-19-3,
1H-Indole, 5-bromo-3-iodo-,
1H-Indole,5-bromo-3-iodo-,
SCHEMBL19280727,
CTK8D4231,
DTXSID80595868,
ZINC71186787,
AKOS015834504,
TC-070686,
L-1720,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.943g/mol |
| Monoisotopic Mass | 320.865g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number