| CAS Number | 897957-06-1 |
| Catalog Number | AG003AA9(AGN-PC-0WCYWD) |
| Chemical Name | 6-Bromo-1-methylindolin-2-one |
| IUPAC Name | 6-bromo-1-methyl-3H-indol-2-one |
| InChI | InChI=1S/C9H8BrNO/c1-11-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3 |
| InChI Key | UUQLZGHQLZAFHD-UHFFFAOYSA-N |
| MDL Number | MFCD25542196 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrC1=CC=C2CC(N(C2=C1)C)=O |
| Synonyms | 6-BROMO-1-METHYLINDOLIN-2-ONE,
897957-06-1,
6-Bromo-1-methyl-2,3-dihydro-1H-indol-2-one,
6-bromo-1-methyl-1,3-dihydro-indol-2-one,
SCHEMBL290257,
UUQLZGHQLZAFHD-UHFFFAOYSA-N,
MFCD25542196,
ZINC88342752,
FCH2346450,
SB15909,
AK342086,
DS-12332,
6-BROMO-1-METHYL-3H-INDOL-2-ONE,
AX8302042,
CS-0054458,
2H-Indol-2-one, 6-bromo-1,3-dihydro-1-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