| CAS Number | 1242140-64-2 |
| Catalog Number | AG01FPSB(AGN-PC-3H5P45) |
| Chemical Name | 1H-Indole-3-carbonitrile,2-amino-5-bromo- |
| IUPAC Name | 2-amino-5-bromo-1H-indole-3-carbonitrile |
| InChI | InChI=1S/C9H6BrN3/c10-5-1-2-8-6(3-5)7(4-11)9(12)13-8/h1-3,13H,12H2 |
| InChI Key | PKYLRPXWQDXODJ-UHFFFAOYSA-N |
| MDL Number | MFCD20227060 |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.0680 |
| SMILES | BrC(C=C12)=CC=C1NC(N)=C2C#N |
| Synonyms | 2-amino-5-bromo-1h-indole-3-carbonitrile,
1242140-64-2,
CS-16628,
CS-0101669,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.97451g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.07g/mol |
| Monoisotopic Mass | 234.97451g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number