1,3-Dimethoxy-2-nitrobenzene - CAS 6665-97-0
Catalog: |
BB033074 |
Product Name: |
1,3-Dimethoxy-2-nitrobenzene |
CAS: |
6665-97-0 |
Synonyms: |
1,3-dimethoxy-2-nitrobenzene; 1,3-dimethoxy-2-nitrobenzene |
IUPAC Name: | 1,3-dimethoxy-2-nitrobenzene |
Description: | 1,3-Dimethoxy-2-nitrobenzene (CAS# 6665-97-0) is a useful research chemical. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | COC1=C(C(=CC=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3 |
InChI Key: | MVBXGGHFJZBKFJ-UHFFFAOYSA-N |
Boiling Point: | 314.5 ℃ at 760 mmHg |
Density: | 1.226 g/cm3 |
LogP: | 2.13520 |
Publication Number | Title | Priority Date |
US-2009018147-A1 | Compounds for modulating TRPV3 function | 20070510 |
US-2011151559-A1 | Compounds for Modulating TRPV3 Function | 20070510 |
US-2017224687-A1 | Compounds for modulating trpv3 function | 20070510 |
US-9486455-B2 | Compounds for modulating TRPV3 function | 20070510 |
WO-2008140750-A1 | Compounds for modulating trpv3 function | 20070510 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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