6-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 189940-04-3
Catalog: |
BB014681 |
Product Name: |
6-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
189940-04-3 |
Synonyms: |
6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one; 6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one |
Description: | 6-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 189940-04-3) is a useful research chemical. |
Molecular Weight: | 217.14 |
Molecular Formula: | C9H6F3NO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14) |
InChI Key: | LRZVYXWBGNCLDB-UHFFFAOYSA-N |
LogP: | 2.12140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2172453-A1 | COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY | 20070627 |
JP-5223864-B2 | Compound having 11β-HSD1 inhibitory activity | 20070627 |
JP-WO2009001817-A1 | Compound having 11β-HSD1 inhibitory activity | 20070627 |
US-8222417-B2 | Compound having 11β-HSD1 inhibitory activity | 20070627 |
US-2010179325-A1 | Compound having 11beta-hsd1 inhibitory activity | 20070512 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.03506292 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.03506292 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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