6-Bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 1154740-47-2
Catalog: |
BB003569 |
Product Name: |
6-Bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
1154740-47-2 |
Synonyms: |
6-bromo-5-methyl-4H-1,4-benzoxazin-3-one; 6-bromo-5-methyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-bromo-5-methyl-4H-1,4-benzoxazin-3-one |
Description: | 6-Bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 1154740-47-2 ) is a useful research chemical. |
Molecular Weight: | 242.07 |
Molecular Formula: | C9H8BrNO2 |
Canonical SMILES: | CC1=C(C=CC2=C1NC(=O)CO2)Br |
InChI: | InChI=1S/C9H8BrNO2/c1-5-6(10)2-3-7-9(5)11-8(12)4-13-7/h2-3H,4H2,1H3,(H,11,12) |
InChI Key: | KJWRSZMBXKQBKZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.22640 |
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 |
EP-2794600-A1 | Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives | 20111222 |
EP-2794600-B1 | 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis | 20111222 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.97384 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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