6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 870064-73-6
Catalog: |
BB038171 |
Product Name: |
6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
870064-73-6 |
Synonyms: |
6-chloro-8-nitro-4H-1,4-benzoxazin-3-one; 6-chloro-8-nitro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-chloro-8-nitro-4H-1,4-benzoxazin-3-one |
Description: | 6-Chloro-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 870064-73-6) is a useful research chemical. |
Molecular Weight: | 228.59 |
Molecular Formula: | C8H5ClN2O4 |
Canonical SMILES: | C1C(=O)NC2=CC(=CC(=C2O1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C8H5ClN2O4/c9-4-1-5-8(6(2-4)11(13)14)15-3-7(12)10-5/h1-2H,3H2,(H,10,12) |
InChI Key: | PHVYJBIAHFOQLG-UHFFFAOYSA-N |
MDL: | MFCD11226538 |
LogP: | 2.24030 |
Publication Number | Title | Priority Date |
US-2013137679-A1 | Novel Functionally Selective Ligands of Dopamine D2 Receptors | 20100702 |
US-9156822-B2 | Functionally selective ligands of dopamine D2 receptors | 20100702 |
WO-2012003418-A2 | Functionally selective ligands of dopamine d2 receptors | 20100702 |
CA-2794773-A1 | Trpv1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
EP-2377850-A1 | TRPV1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9937843 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9937843 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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