6-Nitroisochromane - CAS 207804-97-5
Catalog: |
BB016289 |
Product Name: |
6-Nitroisochromane |
CAS: |
207804-97-5 |
Synonyms: |
6-nitro-3,4-dihydro-1H-2-benzopyran; 6-nitro-3,4-dihydro-1H-isochromene |
IUPAC Name: | 6-nitro-3,4-dihydro-1H-isochromene |
Description: | 6-Nitroisochromane (CAS# 207804-97-5) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | C1COCC2=C1C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO3/c11-10(12)9-2-1-8-6-13-4-3-7(8)5-9/h1-2,5H,3-4,6H2 |
InChI Key: | RTBMEWOVRPAVMS-UHFFFAOYSA-N |
MDL: | MFCD08234693 |
LogP: | 2.19070 |
Publication Number | Title | Priority Date |
AU-2006203963-A1 | Inhibitors of checkpoint kinases | 20050106 |
CA-2590332-A1 | Inhibitors of checkpoint kinases | 20050106 |
EP-1835918-A2 | Inhibitors of checkpoint kinases | 20050106 |
JP-2008526865-A | Inhibitor of checkpoint kinase | 20050106 |
US-2008114016-A1 | Inhibitors of Checkpoint Kinases | 20050106 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Benzopyrans
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