| CAS Number | 860624-91-5 |
| Catalog Number | AG004PER(AGN-PC-0D0MD0) |
| Chemical Name | 5-broMo-1H-indole-7-carboxaMide |
| IUPAC Name | 5-bromo-1H-indole-7-carboxamide |
| InChI | InChI=1S/C9H7BrN2O/c10-6-3-5-1-2-12-8(5)7(4-6)9(11)13/h1-4,12H,(H2,11,13) |
| InChI Key | DRIDRCGADKYDQD-UHFFFAOYSA-N |
| MDL Number | MFCD27930237 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | NC(=O)C1=CC(Br)=CC2=C1NC=C2 |
| Synonyms | 5-bromo-1H-indole-7-carboxamide,
860624-91-5,
1H-Indole-7-carboxamide, 5-bromo-,
SCHEMBL552112,
CTK2I3758,
DTXSID80732478,
DRIDRCGADKYDQD-UHFFFAOYSA-N,
KS-00000S5Q,
MFCD27930237,
ZINC90548913,
AKOS022187838,
DS-8794,
FCH2499444,
AK147857,
AJ-128906,
AX8285263,
FT-0719178,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number