| CAS Number | 955978-73-1 |
| Catalog Number | AG00IJ7P |
| Chemical Name | 4-bromo-1H-indole-2-carboxamide |
| IUPAC Name | 4-bromo-1H-indole-2-carboxamide |
| InChI | InChI=1S/C9H7BrN2O/c10-6-2-1-3-7-5(6)4-8(12-7)9(11)13/h1-4,12H,(H2,11,13) |
| InChI Key | JLDSQMKXKAUVBR-UHFFFAOYSA-N |
| MDL Number | MFCD17215878 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | NC(C1NC2=C(C(=CC=C2)Br)C=1)=O |
| Synonyms | 4-bromo-1H-indole-2-carboxamide,
955978-73-1,
1H-Indole-2-carboxamide, 4-bromo-,
SCHEMBL924331,
JLDSQMKXKAUVBR-UHFFFAOYSA-N,
4-Bromo-1H-indole-2-carboxylic acid amide,
|
| 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
Certificate of Analysis
Lot Number