| CAS Number | 1190198-27-6 |
| Catalog Number | AG00IWYI(AGN-PC-0WB0ML) |
| Chemical Name | 6-Bromobenzo[b]thiophene-2-carboxamide |
| IUPAC Name | 6-bromo-1-benzothiophene-2-carboxamide |
| InChI | InChI=1S/C9H6BrNOS/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H2,11,12) |
| InChI Key | GZBHJNHSMWCHEC-UHFFFAOYSA-N |
| MDL Number | MFCD12922707 |
| Molecular Formula | C9H6BrNOS |
| Molecular Weight | 256.1190 |
| SMILES | [Br]C2(=CC=1(SC(C(=O)N)=CC=1C=C2)) |
| Synonyms | 6-bromo-1-benzothiophene-2-carboxamide,
6-bromobenzo[b]thiophene-2-carboxamide,
1190198-27-6,
SCHEMBL19964559,
CTK5I8258,
KS-000027BL,
MFCD12922707,
SBB101678,
ZINC40566683,
AKOS005073358,
KD-0724,
MCULE-8918677534,
RP14529,
6-bromo-1-benzo[b]thiophene-2-carboxamide,
AJ-103660,
TR-065593,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.117g/mol |
| Monoisotopic Mass | 254.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number