5-Bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione - CAS 153504-79-1
Catalog: |
BB071462 |
Product Name: |
5-Bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione |
CAS: |
153504-79-1 |
Synonyms: |
5-bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione; 5-Bromo-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione |
IUPAC Name: | 5-bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione |
Description: | 5-Bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione |
Molecular Weight: | 309.04 |
Molecular Formula: | C9H4BrF3N2O2 |
Canonical SMILES: | C1=C(C=C(C2=C1NC(=O)C(=O)N2)Br)C(F)(F)F |
InChI: | InChI=1S/C9H4BrF3N2O2/c10-4-1-3(9(11,12)13)2-5-6(4)15-8(17)7(16)14-5/h1-2H,(H,14,16)(H,15,17) |
InChI Key: | XRZJFNLLFBTUGL-UHFFFAOYSA-N |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.94082 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.94082 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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