| CAS Number | 943749-57-3 |
| Catalog Number | AG019ENQ(AGN-PC-0W40AX) |
| Chemical Name | 6-bromo-2,4-dihydro-1H-isoquinolin-3-one |
| IUPAC Name | 6-bromo-2,4-dihydro-1H-isoquinolin-3-one |
| InChI | InChI=1S/C9H8BrNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-3H,4-5H2,(H,11,12) |
| InChI Key | CZALQHYWGITYHK-UHFFFAOYSA-N |
| MDL Number | MFCD26127257 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O=C1NCC2=C(C=C(Br)C=C2)C1 |
| Synonyms | 943749-57-3,
6-Bromo-1,2-dihydroisoquinolin-3(4H)-one,
6-bromo-2,4-dihydro-1H-isoquinolin-3-one,
6-bromo-1,4-dihydroisoquinolin-3(2H)-one,
SCHEMBL1852665,
CZALQHYWGITYHK-UHFFFAOYSA-N,
ZINC117315926,
KS-9120,
6-Bromo-1,4-dihydro-3(2H)-isoquinolinone,
CS-0040551,
3(2H)-Isoquinolinone, 6-bromo-1,4-dihydro-,
6-bromo-1,4-dihydro-2H-isoquinolin-3-one,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number