3-Fluoro-5-methoxybenzaldehyde - CAS 699016-24-5
Catalog: |
BB034009 |
Product Name: |
3-Fluoro-5-methoxybenzaldehyde |
CAS: |
699016-24-5 |
Synonyms: |
3-fluoro-5-methoxybenzaldehyde; 3-fluoro-5-methoxybenzaldehyde |
IUPAC Name: | 3-fluoro-5-methoxybenzaldehyde |
Description: | 3-Fluoro-5-methoxybenzaldehyde (CAS# 699016-24-5) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)C=O)F |
InChI: | InChI=1S/C8H7FO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3 |
InChI Key: | IBKNUJGSSUDSSJ-UHFFFAOYSA-N |
Boiling Point: | 216.065 ℃ at 760 mmHg |
Density: | 1.192 g/cm3 |
MDL: | MFCD08741376 |
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 |
WO-2021155320-A1 | Compounds and uses thereof | 20200129 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
WO-2020247429-A1 | Pyrrolidine compounds | 20190607 |
JP-2021524498-A | Pyrrolidine compound | 20190607 |
JP-6940717-B2 | Pyrrolidine compound | 20190607 |
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: | 1.5 |
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