| CAS Number | 1427394-72-6 |
| Catalog Number | AG00HWL5 |
| Chemical Name | 6-Bromo-7-methylisoindolin-1-one |
| IUPAC Name | 6-bromo-7-methyl-2,3-dihydroisoindol-1-one |
| InChI | InChI=1S/C9H8BrNO/c1-5-7(10)3-2-6-4-11-9(12)8(5)6/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | VKWDKEYQJBHVQU-UHFFFAOYSA-N |
| MDL Number | MFCD23707850 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | CC1=C2C(CNC2=O)=CC=C1Br |
| Synonyms | 6-Bromo-7-methylisoindolin-1-one,
1427394-72-6,
6-Bromo-7-methyl-1-isoindolinone,
MFCD23707850,
ZINC238504701,
AS-30110,
6-bromo-7-methyl-2,3-dihydroisoindol-1-one,
|
| 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 | 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 | 1.8 |
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Certificate of Analysis
Lot Number