| CAS Number | 100831-25-2 |
| Catalog Number | AG01DM32(AGN-PC-0JK1VB) |
| Chemical Name | 7-Bromo-1-methylindolin-2-one |
| IUPAC Name | 7-bromo-1-methyl-3H-indol-2-one |
| InChI | InChI=1S/C9H8BrNO/c1-11-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5H2,1H3 |
| InChI Key | IJTCWHCJVADLDZ-UHFFFAOYSA-N |
| MDL Number | MFCD25542210 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O=C1Cc2c(N1C)c(Br)ccc2 |
| Synonyms | 7-BROMO-1-METHYLINDOLIN-2-ONE,
100831-25-2,
7-Bromo-1-methyl-2,3-dihydro-1H-indol-2-one,
SCHEMBL19629947,
MFCD25542210,
ZINC84016831,
CS-0055871,
7?Bromo-1-methyl-2,3-dihydro-1H-indol-2-one,
7bromo1methyl2,3dihydro1Hindol2one,
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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