7-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1042972-63-3
Catalog: |
BB001375 |
Product Name: |
7-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
1042972-63-3 |
Synonyms: |
7-nitro-1,4-dihydro-3,1-benzoxazin-2-one; 7-nitro-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 7-nitro-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 7-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1042972-63-3 ) is a useful research chemical. |
Molecular Weight: | 194.14 |
Molecular Formula: | C8H6N2O4 |
Canonical SMILES: | C1C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)O1 |
InChI: | InChI=1S/C8H6N2O4/c11-8-9-7-3-6(10(12)13)2-1-5(7)4-14-8/h1-3H,4H2,(H,9,11) |
InChI Key: | STKNISLQIWCPJD-UHFFFAOYSA-N |
LogP: | 2.31810 |
Publication Number | Title | Priority Date |
US-2009270418-A1 | Pyrazole pyrazine amine compounds as kinase inhibitors, compositions thereof and methods of treatment therewith | 20080109 |
WO-2009089042-A1 | Pyrazole pyrazine amine compounds as kinase inhibitors, compositions thereof and methods of treatment therewith | 20080109 |
AU-2008208224-A1 | Heterocyclidene-N-(aryl)acetamide derivative | 20070124 |
EP-2128157-A1 | Heterocyclidene-n-(aryl)acetamide derivative | 20070124 |
KR-20090107068-A | Heterocyclidene-N- (aryl) acetamide Derivatives | 20070124 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03275668 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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