6-Bromo-1-methylquinoxaline-2,3-dione - CAS 90484-35-8
Catalog: |
BB071320 |
Product Name: |
6-Bromo-1-methylquinoxaline-2,3-dione |
CAS: |
90484-35-8 |
Synonyms: |
6-Bromo-1-methylquinoxaline-2,3-dione; 7-bromo-4-methyl-1H-quinoxaline-2,3-dione |
IUPAC Name: | 7-bromo-4-methyl-1H-quinoxaline-2,3-dione |
Description: | 6-Bromo-1-methylquinoxaline-2,3-dione |
Molecular Weight: | 255.06 |
Molecular Formula: | C9H7BrN2O2 |
Canonical SMILES: | CN1C2=C(C=C(C=C2)Br)NC(=O)C1=O |
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 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.96909 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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