6-Nitro-3,4-dihydro-2H-1,4-benzoxazine - CAS 28226-22-4
Catalog: |
BB019793 |
Product Name: |
6-Nitro-3,4-dihydro-2H-1,4-benzoxazine |
CAS: |
28226-22-4 |
Synonyms: |
6-nitro-3,4-dihydro-2H-1,4-benzoxazine; 6-nitro-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 6-nitro-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 6-Nitro-3,4-dihydro-2H-1,4-benzoxazine (CAS# 28226-22-4) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | C1COC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8N2O3/c11-10(12)6-1-2-8-7(5-6)9-3-4-13-8/h1-2,5,9H,3-4H2 |
InChI Key: | GZAJZBARYACGSO-UHFFFAOYSA-N |
Boiling Point: | 337.1 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
MDL: | MFCD07698591 |
LogP: | 2.06030 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021171455-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
WO-2021119199-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
WO-2019037742-A1 | IMIDAZOLONE ANDROGEN RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR, AND CORRESPONDING USE THEREOF | 20170822 |
WO-2017129069-A1 | Tetrahydroquinoline-related bicyclic compounds and use thereof | 20160129 |
TW-201726680-A | Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators | 20151222 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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