1-Fluoro-4,5-dimethoxy-2-nitrobenzene - CAS 959081-93-7
Catalog: |
BB072931 |
Product Name: |
1-Fluoro-4,5-dimethoxy-2-nitrobenzene |
CAS: |
959081-93-7 |
Synonyms: |
1-Fluoro-4,5-dimethoxy-2-nitrobenzene; 1,2-Dimethoxy-4-fluoro-5-nitrobenzene; 4-Fluoro-5-nitroveratrole; 1-Fluoro-4,5-dimethoxy-2-nitrobenzene # |
IUPAC Name: | 1-fluoro-4,5-dimethoxy-2-nitrobenzene |
Molecular Weight: | 201.15 |
Molecular Formula: | C8H8NO4F |
Canonical SMILES: | COC1=C(C=C(C(=C1)[N+](=O)[O-])F)OC |
InChI: | InChI=1S/C8H8FNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3 |
InChI Key: | BUMDYIAERBGUID-UHFFFAOYSA-N |
References: | 1-Fluoro-4,5-dimethoxy-2-nitrobenzene is used in the preparation of substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies as imaging agents.. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0437359 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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