| CAS Number | 1245649-56-2 |
| Catalog Number | AG01CAF7(AGN-PC-0O0PBV) |
| Chemical Name | 6-Bromo-2-cyclopropylisoindolin-1-one |
| IUPAC Name | 6-bromo-2-cyclopropyl-3H-isoindol-1-one |
| InChI | InChI=1S/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2 |
| InChI Key | NEJCKAFHTYFEGR-UHFFFAOYSA-N |
| MDL Number | MFCD18072653 |
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 252.1072 |
| SMILES | BrC1=CC2=C(CN(C2=O)C2CC2)C=C1 |
| Synonyms | 6-Bromo-2-cyclopropylisoindolin-1-one,
1245649-56-2,
SCHEMBL20298340,
ZX-RL006577,
ZINC64034129,
AKOS023568321,
FCH1362935,
KS-8275,
OR306542,
6-Bromo-2-cyclopropyl-2,3-dihydro-isoindol-1-one,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.111g/mol |
| Monoisotopic Mass | 250.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number