6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one - CAS 355423-58-4
Catalog: |
BB055317 |
Product Name: |
6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one |
CAS: |
355423-58-4 |
Synonyms: |
6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one; 6-bromo-7-fluoro-4H-1,4-benzoxazin-3-one; 6-bromo-7-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one |
IUPAC Name: | 6-bromo-7-fluoro-4H-1,4-benzoxazin-3-one |
Description: | 6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one |
Molecular Weight: | 246.03 |
Molecular Formula: | C8H5BrFNO2 |
Canonical SMILES: | C1C(=O)NC2=CC(=C(C=C2O1)F)Br |
InChI: | InChI=1S/C8H5BrFNO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12) |
InChI Key: | AVHJMSMGASUDIT-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.94877 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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