| CAS Number | 1260655-97-7 |
| Catalog Number | AG01A44P |
| Chemical Name | 5-Bromo-3-nitro-1H-indole |
| IUPAC Name | 5-bromo-3-nitro-1H-indole |
| InChI | InChI=1S/C8H5BrN2O2/c9-5-1-2-7-6(3-5)8(4-10-7)11(12)13/h1-4,10H |
| InChI Key | OMCFUDPGQYOPBI-UHFFFAOYSA-N |
| MDL Number | MFCD15526778 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | [O-][N+](C1C2=C(C=CC(=C2)Br)NC=1)=O |
| Synonyms | 5-BROMO-3-NITRO-1H-INDOLE,
1260655-97-7,
AKOS027321644,
ZINC199795344,
CM10401,
SC-34608,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.044g/mol |
| Monoisotopic Mass | 239.953g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number