| CAS Number | 1330763-93-3 |
| Catalog Number | AG001477(AGN-PC-0WD4HJ) |
| Chemical Name | 7-Bromo-2-Methylisoindolin-1-One |
| IUPAC Name | 7-bromo-2-methyl-3H-isoindol-1-one |
| InChI | InChI=1S/C9H8BrNO/c1-11-5-6-3-2-4-7(10)8(6)9(11)12/h2-4H,5H2,1H3 |
| InChI Key | XVELRSQAHQYTRK-UHFFFAOYSA-N |
| MDL Number | MFCD18205412 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O=C1c2c(CN1C)cccc2Br |
| Synonyms | 7-BROMO-2-METHYLISOINDOLIN-1-ONE,
1330763-93-3,
SCHEMBL18089021,
KS-00001AMR,
MFCD18205412,
ZINC91304882,
FCH1364070,
AM805821,
AS-39727,
AJ-130412,
AX8283366,
CS-0038905,
1H-Isoindol-1-one, 7-bromo-2,3-dihydro-2-methyl-,
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| Complexity | 207 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number