6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 1029421-36-0
Catalog: |
BB000972 |
Product Name: |
6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
1029421-36-0 |
Synonyms: |
6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one; 6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-bromo-5-fluoro-4H-1,4-benzoxazin-3-one |
Description: | 6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 1029421-36-0 ) is a useful research chemical. |
Molecular Weight: | 246.03 |
Molecular Formula: | C8H5BrFNO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=CC(=C2F)Br |
InChI: | InChI=1S/C8H5BrFNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12) |
InChI Key: | JIHABKIDCVPCNQ-UHFFFAOYSA-N |
LogP: | 2.05710 |
Publication Number | Title | Priority Date |
AU-2012356083-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
AU-2012356083-B2 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
CA-2859764-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
CA-2859764-C | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
EP-2794600-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
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: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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