2-Fluoro-5-nitroanisole - CAS 454-16-0
Catalog: |
BB025853 |
Product Name: |
2-Fluoro-5-nitroanisole |
CAS: |
454-16-0 |
Synonyms: |
1-fluoro-2-methoxy-4-nitrobenzene; 1-fluoro-2-methoxy-4-nitrobenzene |
IUPAC Name: | 1-fluoro-2-methoxy-4-nitrobenzene |
Description: | 2-Fluoro-5-nitroanisole (CAS# 454-16-0) is a useful research chemical. |
Molecular Weight: | 171.13 |
Molecular Formula: | C7H6FNO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
InChI Key: | AZNKKZHZGDZSIF-UHFFFAOYSA-N |
Boiling Point: | 270.3 ℃ at 760 mmHg |
Density: | 1.321 g/cm3 |
MDL: | MFCD07782081 |
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 |
CN-112094248-A | Substituted benzothiazole compound and application thereof | 20200917 |
CN-111848631-A | Pyrrolo [2,3-d ] pyrimidine derivative targeting EGFR mutation and preparation method and application thereof | 20200828 |
WO-2021138694-A1 | Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same | 20200102 |
WO-2021062245-A1 | Pyridone compounds and methods of use in the modulation of a protein kinase | 20190926 |
WO-2021050992-A1 | Usp30 inhibitors and uses thereof | 20190911 |
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: | 2.3 |
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