7-Bromo-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one - CAS 943995-72-0
Catalog: |
BB041298 |
Product Name: |
7-Bromo-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one |
CAS: |
943995-72-0 |
Synonyms: |
7-bromo-1H-pyrido[3,4-b][1,4]oxazin-2-one; 7-bromo-1H-pyrido[3,4-b][1,4]oxazin-2-one |
IUPAC Name: | 7-bromo-1H-pyrido[3,4-b][1,4]oxazin-2-one |
Description: | 7-Bromo-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one (CAS# 943995-72-0 ) is a useful research chemical. |
Molecular Weight: | 229.03 |
Molecular Formula: | C7H5BrN2O2 |
Canonical SMILES: | C1C(=O)NC2=CC(=NC=C2O1)Br |
InChI: | InChI=1S/C7H5BrN2O2/c8-6-1-4-5(2-9-6)12-3-7(11)10-4/h1-2H,3H2,(H,10,11) |
InChI Key: | JNJPDSJIBLTHIY-UHFFFAOYSA-N |
LogP: | 1.31300 |
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: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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