| CAS Number | 1242157-15-8 |
| Catalog Number | AG009YDL |
| Chemical Name | 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one |
| IUPAC Name | 6-bromo-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H7BrFNO/c10-6-3-5-1-2-12-9(13)8(5)7(11)4-6/h3-4H,1-2H2,(H,12,13) |
| InChI Key | QNEGTSCEMNYFFK-UHFFFAOYSA-N |
| MDL Number | MFCD22381969 |
| Molecular Formula | C9H7BrFNO |
| Molecular Weight | 244.0604 |
| SMILES | BrC=1C=C2CCNC(C2=C(C1)F)=O |
| Synonyms | 6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one,
1242157-15-8,
SCHEMBL1725137,
QNEGTSCEMNYFFK-UHFFFAOYSA-N,
MFCD22381969,
ZINC95828707,
AS-43437,
AJ-133930,
6-bromo-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.063g/mol |
| Monoisotopic Mass | 242.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number