| CAS Number | 1290634-35-3 |
| Catalog Number | AG00A05B(AGN-PC-0WNQC1) |
| Chemical Name | 7-Bromo-2-methylisoquinolin-1(2H)-one |
| IUPAC Name | 7-bromo-2-methylisoquinolin-1-one |
| InChI | InChI=1S/C10H8BrNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-6H,1H3 |
| InChI Key | ZZSFZIKRCCTBSV-UHFFFAOYSA-N |
| MDL Number | MFCD22380537 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | Brc1ccc2c(c1)c(=O)n(cc2)C |
| Synonyms | 7-Bromo-2-methylisoquinolin-1(2H)-one,
1290634-35-3,
SCHEMBL9919029,
7-bromo-2-methylisoquinolin-1-one,
MFCD22380537,
7-bromo-2-methyl-isoquinolin-1-one,
7-bromo-2-methylisoquinolin-1(2H)-one, 95% - 1G 1g,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 0 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number