4-Fluoro-2-methyl-5-nitroanisole - CAS 134882-63-6
Catalog: |
BB008029 |
Product Name: |
4-Fluoro-2-methyl-5-nitroanisole |
CAS: |
134882-63-6 |
Synonyms: |
1-fluoro-4-methoxy-5-methyl-2-nitrobenzene; 1-fluoro-4-methoxy-5-methyl-2-nitrobenzene |
IUPAC Name: | 1-fluoro-4-methoxy-5-methyl-2-nitrobenzene |
Description: | 4-Fluoro-2-methyl-5-nitroanisole (CAS# 134882-63-6) is a useful research chemical. |
Molecular Weight: | 185.15 |
Molecular Formula: | C8H8FNO3 |
Canonical SMILES: | CC1=CC(=C(C=C1OC)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H8FNO3/c1-5-3-6(9)7(10(11)12)4-8(5)13-2/h3-4H,1-2H3 |
InChI Key: | ANTUPTYBGAWYGM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.57410 |
Publication Number | Title | Priority Date |
AU-2009331667-A1 | Dihydropyridone amides as P2X7 modulators | 20081223 |
CA-2745866-A1 | Dihydropyridone ureas as p2x7 modulators | 20081223 |
CA-2747925-A1 | Dihydropyridone amides as p2x7 modulators | 20081223 |
EP-2391604-A1 | Dihydropyridone amides as p2x7 modulators | 20081223 |
EP-2393781-A1 | Dihydropyridone ureas as p2x7 modulators | 20081223 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04882128 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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