3-Fluoro-5-nitrobenzaldehyde - CAS 108159-96-2
Catalog: |
BB002179 |
Product Name: |
3-Fluoro-5-nitrobenzaldehyde |
CAS: |
108159-96-2 |
Synonyms: |
3-fluoro-5-nitrobenzaldehyde; 3-fluoro-5-nitrobenzaldehyde |
IUPAC Name: | 3-fluoro-5-nitrobenzaldehyde |
Description: | 3-Fluoro-5-nitrobenzaldehyde (CAS# 108159-96-2) is used as a reactant in the design and synthesis of selective activators of cardiac myosin. |
Molecular Weight: | 169.11 |
Molecular Formula: | C7H4FNO3 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])F)C=O |
InChI: | InChI=1S/C7H4FNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H |
InChI Key: | BNZAUKCPEARMKF-UHFFFAOYSA-N |
Boiling Point: | 265 ℃ |
Density: | 1.443 g/cm3 |
MDL: | MFCD11111000 |
LogP: | 2.06960 |
Publication Number | Title | Priority Date |
CN-113149881-A | Chiral derivatization reagent and preparation method and application thereof | 20210304 |
CN-112679361-A | Synthetic method of 3-fluoro-5-nitrobenzaldehyde | 20210122 |
EP-3180329-A1 | Triazoles as nr2b receptor inhibitors | 20140815 |
EP-3180329-B1 | Triazoles as nr2b receptor inhibitors | 20140815 |
JP-2017524019-A | Triazoles as NR2B receptor inhibitors | 20140815 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.01752115 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.01752115 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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