4-Fluoro-2-methoxybenzaldehyde - CAS 450-83-9
Catalog: |
BB025757 |
Product Name: |
4-Fluoro-2-methoxybenzaldehyde |
CAS: |
450-83-9 |
Synonyms: |
4-fluoro-2-methoxybenzaldehyde; 4-fluoro-2-methoxybenzaldehyde |
IUPAC Name: | 4-fluoro-2-methoxybenzaldehyde |
Description: | 4-Fluoro-2-methoxybenzaldehyde (CAS# 450-83-9) is used in the synthesis of imidazopyridazinones acting as novel PDE7 inhibitors for application towards Parkinson's disease treatment. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | COC1=C(C=CC(=C1)F)C=O |
InChI: | InChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3 |
InChI Key: | PTKRQIRPNNIORO-UHFFFAOYSA-N |
Boiling Point: | 224.6 °C at 760 mmHg |
Density: | 1.192 g/cm3 |
MDL: | MFCD00143318 |
LogP: | 1.64680 |
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 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
WO-2021203016-A2 | Protein-protein interaction stabilizers | 20200403 |
CN-111153817-A | phenoxy-N-phenylaniline derivatives and application thereof | 20200120 |
CN-111153817-B | phenoxy-N-phenylaniline derivatives and application thereof | 20200120 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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