6-Bromo-8-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 121564-97-4
Catalog: |
BB005209 |
Product Name: |
6-Bromo-8-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
121564-97-4 |
Synonyms: |
6-bromo-8-methyl-4H-1,4-benzoxazin-3-one; 6-bromo-8-methyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-bromo-8-methyl-4H-1,4-benzoxazin-3-one |
Description: | 6-Bromo-8-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 121564-97-4 ) is a useful research chemical. |
Molecular Weight: | 242.07 |
Molecular Formula: | C9H8BrNO2 |
Canonical SMILES: | CC1=CC(=CC2=C1OCC(=O)N2)Br |
InChI: | InChI=1S/C9H8BrNO2/c1-5-2-6(10)3-7-9(5)13-4-8(12)11-7/h2-3H,4H2,1H3,(H,11,12) |
InChI Key: | PLKXHZTWQITWFD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.17350 |
Publication Number | Title | Priority Date |
US-2008261968-A1 | Heterobicyclic metalloprotease inhibitors | 20061120 |
US-7713966-B2 | Heterobicyclic metalloprotease inhibitors | 20061120 |
WO-2008063668-A1 | Heterobicyclic metalloprotease inhibitors | 20061120 |
CA-2635541-A1 | Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands | 20051228 |
JP-2009523701-A | Fused heterocyclic compounds and uses thereof | 20051228 |
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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