3'-Bromo-2'-fluoroacetophenone - CAS 161957-61-5
Catalog: |
BB011804 |
Product Name: |
3'-Bromo-2'-fluoroacetophenone |
CAS: |
161957-61-5 |
Synonyms: |
1-(3-bromo-2-fluorophenyl)ethanone; 1-(3-bromo-2-fluorophenyl)ethanone |
IUPAC Name: | 1-(3-bromo-2-fluorophenyl)ethanone |
Description: | 3'-Bromo-2'-fluoroacetophenone (CAS# 161957-61-5) is a useful research chemical. |
Molecular Weight: | 217.04 |
Molecular Formula: | C8H6BrFO |
Canonical SMILES: | CC(=O)C1=C(C(=CC=C1)Br)F |
InChI: | InChI=1S/C8H6BrFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3 |
InChI Key: | GSLFYQYBXIVNLS-UHFFFAOYSA-N |
Boiling Point: | 252.4 °C at 760 mmHg |
Density: | 1.535 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09264507 |
LogP: | 2.79080 |
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 |
WO-2021130731-A1 | Substituted tricyclic compounds | 20191227 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
CN-111019915-A | Application of carbonyl reductase mutant in synthesis of chiral ortho-halogenated- α -phenethyl alcohol | 20191108 |
WO-2020254451-A1 | Anticancer combination therapy | 20190619 |
WO-2020112937-A1 | Tyk2 inhibitors and uses thereof | 20181130 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95861 |
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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