7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 81721-86-0
Catalog: |
BB036700 |
Product Name: |
7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
81721-86-0 |
Synonyms: |
7-nitro-4H-1,4-benzoxazin-3-one; 7-nitro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-nitro-4H-1,4-benzoxazin-3-one |
Description: | 7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 81721-86-0) is a useful research chemical. |
Molecular Weight: | 194.14 |
Molecular Formula: | C8H6N2O4 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O4/c11-8-4-14-7-3-5(10(12)13)1-2-6(7)9-8/h1-3H,4H2,(H,9,11) |
InChI Key: | YVGHCFMAEHXPBH-UHFFFAOYSA-N |
Boiling Point: | 429.4 °C at 760 mmHg |
Density: | 1.474 g/cm3 |
MDL: | MFCD00090355 |
LogP: | 1.58690 |
Publication Number | Title | Priority Date |
CN-111196817-A | Tricyclic compounds as BRPF1 inhibitors | 20181119 |
CN-111196817-B | Tricyclic compounds as BRPF1 inhibitors | 20181119 |
CN-106279139-B | It can be used as the compound and its preparation method and application of SGLT2 inhibitor | 20160808 |
EP-3383859-A1 | 1-cyano-pyrrolidine derivatives as inhibitors of usp30. | 20151130 |
EP-3383859-B1 | 1-cyano-pyrrolidine derivatives as inhibitors of usp30 | 20151130 |
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: | 0.7 |
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