| CAS Number | 893731-58-3 |
| Catalog Number | AG00IFNR(AGN-PC-0WB0SH) |
| Chemical Name | 6-Bromo-1H-indole-2-carboxamide |
| IUPAC Name | 6-bromo-1H-indole-2-carboxamide |
| InChI | InChI=1S/C9H7BrN2O/c10-6-2-1-5-3-8(9(11)13)12-7(5)4-6/h1-4,12H,(H2,11,13) |
| InChI Key | JSCKWINVIDGYFR-UHFFFAOYSA-N |
| MDL Number | MFCD07364620 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | O=C(C(N1)=CC2=C1C=C(Br)C=C2)N |
| Synonyms | 6-bromo-1H-indole-2-carboxamide,
893731-58-3,
1H-Indole-2-carboxamide, 6-bromo-,
AC1NGOYN,
SCHEMBL8889640,
KS-000027KN,
2286AF,
MFCD07364620,
ZINC22864076,
AKOS004119730,
LG-0748,
MCULE-2071483350,
C9H7BrN2O,
CID4777757,
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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