| CAS Number | 906660-35-3 |
| Catalog Number | AG00IG94(AGN-PC-0WG3WQ) |
| Chemical Name | 7-Bromo-1-methylindoline-2,3-dione |
| IUPAC Name | 7-bromo-1-methylindole-2,3-dione |
| InChI | InChI=1S/C9H6BrNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3 |
| InChI Key | VEPFHSOGCBTTEE-UHFFFAOYSA-N |
| MDL Number | MFCD14641631 |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.0534 |
| SMILES | CN1C2=C(C=CC=C2C(=O)C1=O)Br |
| Synonyms | 7-BROMO-1-METHYLINDOLINE-2,3-DIONE,
906660-35-3,
7-bromo-1-methylindole-2,3-dione,
1H-Indole-2,3-dione, 7-bromo-1-methyl-,
SCHEMBL3778381,
MFCD14641631,
ZINC36473449,
AKOS010613357,
MCULE-6903986504,
7-bromo-1-methyl-1H-indole-2,3-dione,
CS-0037742,
7-bromo-1-methyl-indole-2,3-dione,
CID11845969,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.056g/mol |
| Monoisotopic Mass | 238.958g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number