2,2-Dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one - CAS 1002726-59-1
Catalog: |
BB000150 |
Product Name: |
2,2-Dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
CAS: |
1002726-59-1 |
Synonyms: |
2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one; 2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one |
IUPAC Name: | 2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one |
Description: | 2,2-Dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (CAS# 1002726-59-1) is a useful research chemical. |
Molecular Weight: | 223.19 |
Molecular Formula: | C9H9N3O4 |
Canonical SMILES: | CC1(C(=O)NC2=C(O1)C=CC(=N2)[N+](=O)[O-])C |
InChI: | InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13) |
InChI Key: | QPNDHHGIJAMRMD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD10000811 |
LogP: | 1.76050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-102491985-A | Synthesis method for 6-amino-2,2-dimethyl-2H-pyridino-[3,2-b] [1,4] oxazine-3(4H)-ketone | 20111213 |
JP-2008013527-A | Thieno [3,2-d] pyrimidine-2,4-diamine derivative | 20060710 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.05930578 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.05930578 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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