5-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1002129-70-5
Catalog: |
BB000131 |
Product Name: |
5-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
1002129-70-5 |
Synonyms: |
5-nitro-1,4-dihydro-3,1-benzoxazin-2-one; 5-nitro-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-nitro-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 5-Nitro-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1002129-70-5 ) is a useful research chemical. |
Molecular Weight: | 194.14 |
Molecular Formula: | C8H6N2O4 |
Canonical SMILES: | C1C2=C(C=CC=C2[N+](=O)[O-])NC(=O)O1 |
InChI: | InChI=1S/C8H6N2O4/c11-8-9-6-2-1-3-7(10(12)13)5(6)4-14-8/h1-3H,4H2,(H,9,11) |
InChI Key: | CURYBKKHSYYDRP-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CA-2658097-A1 | Pentadienamide derivatives | 20060713 |
EP-2050734-A1 | Pentadienamide derivative | 20060713 |
JP-WO2008007780-A1 | Pentadienamide derivatives | 20060713 |
KR-20090031898-A | Pentadieneamide Derivatives | 20060713 |
US-2009203667-A1 | Pentadienamide derivatives | 20060713 |
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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