| CAS Number | 877371-97-6 |
| Catalog Number | AG00H2KX(AGN-PC-0LH58X) |
| Chemical Name | 5-bromo-1H-indole-2-carboxamide |
| IUPAC Name | 5-bromo-1H-indole-2-carboxamide |
| InChI | InChI=1S/C9H7BrN2O/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H,(H2,11,13) |
| InChI Key | LSVXIUWPEUBKBM-UHFFFAOYSA-N |
| MDL Number | MFCD07364711 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | BrC=1C=C2C=C(NC2=CC1)C(=O)N |
| Synonyms | 5-bromo-1H-indole-2-carboxamide,
877371-97-6,
1H-Indole-2-carboxamide, 5-bromo-,
AC1NGP8E,
SCHEMBL1156450,
LSVXIUWPEUBKBM-UHFFFAOYSA-N,
MFCD07364711,
ZINC22864071,
5-Bromoindole-2-carboxylic acid amide,
AKOS004119438,
MCULE-4770036050,
5-bromo-1H-indole-2-carboxylic acid amide,
CS-0062132,
CID4777875,
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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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number