4'-Fluoro-2'-methoxyacetophenone - CAS 51788-80-8
Catalog: |
BB027591 |
Product Name: |
4'-Fluoro-2'-methoxyacetophenone |
CAS: |
51788-80-8 |
Synonyms: |
1-(4-fluoro-2-methoxyphenyl)ethanone; 1-(4-fluoro-2-methoxyphenyl)ethanone |
IUPAC Name: | 1-(4-fluoro-2-methoxyphenyl)ethanone |
Description: | 4'-Fluoro-2'-methoxyacetophenone (CAS# 51788-80-8) is a useful research chemical. |
Molecular Weight: | 168.17 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)F)OC |
InChI: | InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3 |
InChI Key: | YOXBPWVWNQROBJ-UHFFFAOYSA-N |
Boiling Point: | 228.4 °C at 760 mmHg |
Density: | 1.127 g/cm3 |
MDL: | MFCD00061143 |
LogP: | 2.03690 |
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-111518058-A | Oxathiazine compound and application thereof | 20200529 |
CN-111518058-B | Oxathiazine compound and application thereof | 20200529 |
WO-2021071843-A1 | Muscarinic acetylcholine m1 receptor antagonists | 20191007 |
WO-2019242689-A1 | Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof | 20180622 |
WO-2019120210-A1 | Benzofuran, coumestans derivatives, preparation method and use thereof | 20171220 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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