| CAS Number | 1336955-89-5 |
| Catalog Number | AG00HSZ3 |
| Chemical Name | 3-bromo-5H,6H,7H-cyclopenta[b]pyridin-7-one |
| IUPAC Name | 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one |
| InChI | InChI=1S/C8H6BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4H,1-2H2 |
| InChI Key | TWEMEGANYJCTRY-UHFFFAOYSA-N |
| MDL Number | MFCD17014899 |
| Molecular Formula | C8H6BrNO |
| Molecular Weight | 212.0433 |
| SMILES | C1CC(=O)C2=NC=C(C=C12)Br |
| Synonyms | 1336955-89-5,
3-BROMO-5H-CYCLOPENTA[B]PYRIDIN-7(6H)-ONE,
3-bromo-5H,6H,7H-cyclopenta[b]pyridin-7-one,
SCHEMBL16043515,
TWEMEGANYJCTRY-UHFFFAOYSA-N,
MFCD17014899,
ZINC66354290,
AKOS027251394,
AS-42660,
FT-0753451,
S14-2027,
Z2719291531,
ACN-054660,
3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one,
3-bromo-5,6-dihydro-7H-Cyclopenta[b]pyridin-7-one,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.046g/mol |
| Monoisotopic Mass | 210.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number