3'-Chloro-4'-fluoroacetophenone - CAS 2923-66-2
Catalog: |
BB020137 |
Product Name: |
3'-Chloro-4'-fluoroacetophenone |
CAS: |
2923-66-2 |
Synonyms: |
1-(3-chloro-4-fluorophenyl)ethanone; 1-(3-chloro-4-fluorophenyl)ethanone |
IUPAC Name: | 1-(3-chloro-4-fluorophenyl)ethanone |
Description: | 3'-Chloro-4'-fluoroacetophenone (CAS# 2923-66-2) is a useful research chemical. |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)F)Cl |
InChI: | InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
InChI Key: | PCJPESKRPOTNGU-UHFFFAOYSA-N |
Boiling Point: | 126 °C |
Density: | 1.3 g/cm3 |
MDL: | MFCD00042203 |
LogP: | 2.68170 |
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 |
US-2021128532-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
WO-2021086874-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
US-2020172530-A1 | Small Molecule Sensitization of BAX Activation for Induction of Cell Death | 20170314 |
PMID | Publication Date | Title | Journal |
21522787 | 20101211 | (E)-2-[1-(3-Chloro-4-fluoro-phen-yl)ethyl-idene]hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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