5'-Chloro-2'-fluoroacetophenone - CAS 541508-27-4
Catalog: |
BB028528 |
Product Name: |
5'-Chloro-2'-fluoroacetophenone |
CAS: |
541508-27-4 |
Synonyms: |
1-(5-chloro-2-fluorophenyl)ethanone; 1-(5-chloro-2-fluorophenyl)ethanone |
IUPAC Name: | 1-(5-chloro-2-fluorophenyl)ethanone |
Description: | 5'-Chloro-2'-fluoroacetophenone (CAS# 541508-27-4 ) is a useful research chemical. |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)Cl)F |
InChI: | InChI=1S/C8H6ClFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3 |
InChI Key: | GCAFAZLJICOINM-UHFFFAOYSA-N |
Boiling Point: | 235.8 °C at 760 mmHg |
Density: | 1.258 g/cm3 |
MDL: | MFCD03094519 |
LogP: | 2.68170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019242689-A1 | Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof | 20180622 |
US-2021214333-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
CA-2992926-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-B1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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