4-Fluoro-2-nitroanisole - CAS 445-83-0
Catalog: |
BB025648 |
Product Name: |
4-Fluoro-2-nitroanisole |
CAS: |
445-83-0 |
Synonyms: |
4-fluoro-1-methoxy-2-nitrobenzene |
IUPAC Name: | 4-fluoro-1-methoxy-2-nitrobenzene |
Description: | 4-Fluoro-2-nitroanisole (CAS# 445-83-0) is a useful research chemical. |
Molecular Weight: | 171.13 |
Molecular Formula: | C7H6FNO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | FWLPYISRFBKEKV-UHFFFAOYSA-N |
Boiling Point: | 272.4 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.321 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00013375 |
LogP: | 2.26570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-112020001124-A2 | compound or pharmaceutically acceptable salt thereof, pharmaceutical composition, use of the compound or pharmaceutically acceptable salt thereof and method for treating cancer | 20170719 |
CN-108373476-B | Kinase inhibitor and preparation and application thereof | 20170113 |
US-2014303186-A1 | Nitrogen-containing fused ring compounds as crth2 antagonists | 20111117 |
US-9233098-B2 | Nitrogen-containing fused ring compounds as CRTH2 antagonists | 20111117 |
US-2012129811-A1 | Tricyclic inhibitors of pro-matrix metalloproteinase activation | 20101118 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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