5'-Bromo-2',4'-difluoroacetophenone - CAS 864773-64-8
Catalog: |
BB037952 |
Product Name: |
5'-Bromo-2',4'-difluoroacetophenone |
CAS: |
864773-64-8 |
Synonyms: |
1-(5-bromo-2,4-difluorophenyl)ethanone; 1-(5-bromo-2,4-difluorophenyl)ethanone |
IUPAC Name: | 1-(5-bromo-2,4-difluorophenyl)ethanone |
Description: | 5'-Bromo-2',4'-difluoroacetophenone (CAS# 864773-64-8) is a useful research chemical. |
Molecular Weight: | 235.03 |
Molecular Formula: | C8H5BrF2O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1F)F)Br |
InChI: | InChI=1S/C8H5BrF2O/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-3H,1H3 |
InChI Key: | KXZHDRBQPYKHKS-UHFFFAOYSA-N |
MDL: | MFCD13190613 |
LogP: | 2.92990 |
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-2020192553-A1 | Sulfonyl-substituted benzoheterocyclic formamide derivative, and preparation method therefor and medical use thereof | 20190322 |
WO-2020192588-A1 | Alkylsulfamoyl indazole carboxamide derivative, preparation method therefor, and pharmaceutical use thereof | 20190322 |
AU-2015306458-A1 | Indazoles | 20140822 |
AU-2015306458-B2 | Indazoles | 20140822 |
CA-2958508-A1 | Indazoles | 20140822 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.94918 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.94918 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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