| CAS Number | 90484-35-8 |
| Catalog Number | AG00IG5R(AGN-PC-0L0WPN) |
| Chemical Name | 6-Bromo-1-methylquinoxaline-2,3-dione |
| IUPAC Name | 7-bromo-4-methyl-1H-quinoxaline-2,3-dione |
| InChI | InChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13) |
| InChI Key | BROVAGOLEYHCJM-UHFFFAOYSA-N |
| MDL Number | MFCD00956386 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | BrC1C=C2C(=CC=1)N(C)C(=O)C(=O)N2 |
| Synonyms | 6-Bromo-1-methylquinoxaline-2,3-dione,
90484-35-8,
AC1MZE2L,
7-bromo-4-methyl-1H-quinoxaline-2,3-dione,
SCHEMBL7968233,
ZINC5286055,
2,3-Quinoxalinedione, 6-bromo-1,4-dihydro-1-methyl-,
CID3846596,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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