| CAS Number | 1092301-56-8 |
| Catalog Number | AG00958K(AGN-PC-0WOTU2) |
| Chemical Name | 2-Chloro-6,7-dihydro-[1]pyrindin-5-one |
| IUPAC Name | 2-chloro-6,7-dihydrocyclopenta[b]pyridin-5-one |
| InChI | InChI=1S/C8H6ClNO/c9-8-4-1-5-6(10-8)2-3-7(5)11/h1,4H,2-3H2 |
| InChI Key | JFKQJNVBCOOSGP-UHFFFAOYSA-N |
| MDL Number | MFCD11557189 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.5923 |
| SMILES | O=C1CCC2=NC(Cl)=CC=C21 |
| Synonyms | 1092301-56-8,
2-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE,
2-CHLORO-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-5-ONE,
MFCD11557189,
ZINC26506671,
AKOS006315415,
AB64289,
BS-13550,
2-CHLORO-6,7-DIHYDRO-[1]PYRINDIN-5-ONE,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.592g/mol |
| Monoisotopic Mass | 167.014g/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