2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 85160-83-4
Catalog: |
BB037517 |
Product Name: |
2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
85160-83-4 |
Synonyms: |
2,2-dimethyl-7-nitro-4H-1,4-benzoxazin-3-one; 2,2-dimethyl-7-nitro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 2,2-dimethyl-7-nitro-4H-1,4-benzoxazin-3-one |
Description: | 2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 85160-83-4 ) is a useful research chemical. |
Molecular Weight: | 222.20 |
Molecular Formula: | C10H10N2O4 |
Canonical SMILES: | CC1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C |
InChI: | InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-4-3-6(12(14)15)5-8(7)16-10/h3-5H,1-2H3,(H,11,13) |
InChI Key: | KGWYDVZSGRHPFK-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.31260 |
Publication Number | Title | Priority Date |
EP-2975031-A1 | Heterocyclic compound | 20130314 |
US-2016229814-A1 | Heterocyclic compound | 20130314 |
US-9834520-B2 | Heterocyclic compound | 20130314 |
WO-2014142255-A1 | Heterocyclic compound | 20130314 |
EP-2883870-A1 | Method for producing 1,4-benzoxazine compound | 20120808 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0640568 |
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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