1-(5-Bromo-3-fluoropyridin-2-yl)ethanone - CAS 1160936-52-6
Catalog: |
BB003709 |
Product Name: |
1-(5-Bromo-3-fluoropyridin-2-yl)ethanone |
CAS: |
1160936-52-6 |
Synonyms: |
1-(5-bromo-3-fluoropyridin-2-yl)ethanone |
IUPAC Name: | 1-(5-bromo-3-fluoropyridin-2-yl)ethanone |
Description: | 1-(5-Bromo-3-fluoropyridin-2-yl)ethanone (CAS# 1160936-52-6) is a useful research chemical. |
Molecular Weight: | 218.02 |
Molecular Formula: | C7H5BrFNO |
Canonical SMILES: | CC(=O)C1=NC=C(C=C1F)Br |
InChI: | InChI=1S/C7H5BrFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3 |
InChI Key: | UJKOXVSYARTOMX-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 2.18580 |
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-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020231977-A1 | Compounds for treating huntington's disease | 20190513 |
WO-2020046813-A1 | Cd73 inhibitors | 20180827 |
WO-2019209948-A1 | Compounds and uses thereof | 20180425 |
WO-2019209948-A9 | Compounds and uses thereof | 20180425 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.95385 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.95385 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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