5-Bromo-3-fluorosalicylaldehyde - CAS 251300-28-4
Catalog: |
BB018756 |
Product Name: |
5-Bromo-3-fluorosalicylaldehyde |
CAS: |
251300-28-4 |
Synonyms: |
5-bromo-3-fluoro-2-hydroxybenzaldehyde |
IUPAC Name: | 5-bromo-3-fluoro-2-hydroxybenzaldehyde |
Description: | 5-Bromo-3-fluorosalicylaldehyde (CAS# 251300-28-4) is a useful research chemical. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)O)C=O)Br |
InChI: | InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H |
InChI Key: | YYCQXIWKIRQWHN-UHFFFAOYSA-N |
Melting Point: | 112-116 °C (lit.) |
Purity: | 95 % |
MDL: | MFCD03788530 |
LogP: | 2.10630 |
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-2021170774-A1 | New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them | 20200228 |
WO-2020254559-A1 | Compounds for the treatment of neuromuscular disorders | 20190619 |
US-2020308163-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
WO-2020198368-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
US-2020108083-A1 | Boron Containing PDE4 Inhibitors | 20181005 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93787 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93787 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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