| CAS Number | 937664-94-3 |
| Catalog Number | AG00GVQ2(AGN-PC-0WB3UO) |
| Chemical Name | 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione |
| IUPAC Name | 7-bromo-1-ethyl-5-methylindole-2,3-dione |
| InChI | InChI=1S/C11H10BrNO2/c1-3-13-9-7(10(14)11(13)15)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3 |
| InChI Key | YZOKQXZKPAIFCT-UHFFFAOYSA-N |
| MDL Number | MFCD08754533 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | N1(CC)C2=C(Br)C=C(C=C2C(=O)C1=O)C |
| Synonyms | 937664-94-3,
7-BROMO-1-ETHYL-5-METHYL-1H-INDOLE-2,3-DIONE,
7-Bromo-1-ethyl-5-methylindoline-2,3-dione,
CTK5H2955,
DTXSID60596393,
ZX-CM005893,
MFCD08754533,
ZINC19092081,
AKOS002667193,
AJ-71751,
Y-4747,
7-bromo-1-ethyl-5-methyl-1H-indole-2,3-dione(SALTDATA,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number