6-Nitrobenzoxazole - CAS 17200-30-5
Catalog: |
BB012785 |
Product Name: |
6-Nitrobenzoxazole |
CAS: |
17200-30-5 |
Synonyms: |
6-nitro-1,3-benzoxazole; 6-nitro-1,3-benzoxazole |
IUPAC Name: | 6-nitro-1,3-benzoxazole |
Description: | 6-Nitrobenzoxazole (CAS# 17200-30-5) is a useful research chemical. |
Molecular Weight: | 164.12 |
Molecular Formula: | C7H4N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])OC=N2 |
InChI: | InChI=1S/C7H4N2O3/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H |
InChI Key: | NNESGHWUVLNAML-UHFFFAOYSA-N |
Boiling Point: | 294.2 °C at 760 mmHg |
Density: | 1.473 g/cm3 |
MDL: | MFCD00797933 |
LogP: | 2.25920 |
Publication Number | Title | Priority Date |
CN-110305072-A | Compound and its application with phosphodiesterase 4 D and acid sphingomyelinase inhibitory activity | 20190625 |
WO-2016057834-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
WO-2016057834-A9 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
US-2017121349-A1 | Anti-Infective Compounds | 20140620 |
CN-104781251-A | Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators | 20121108 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02219199 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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