3-Fluoro-4-methylbenzaldehyde - CAS 177756-62-6
Catalog: |
BB013331 |
Product Name: |
3-Fluoro-4-methylbenzaldehyde |
CAS: |
177756-62-6 |
Synonyms: |
3-fluoro-4-methylbenzaldehyde |
IUPAC Name: | 3-fluoro-4-methylbenzaldehyde |
Description: | 3-Fluoro-4-methylbenzaldehyde (CAS# 177756-62-6) is a useful research chemical. |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC1=C(C=C(C=C1)C=O)F |
InChI: | InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
InChI Key: | UFPBMVRONDLOGK-UHFFFAOYSA-N |
Boiling Point: | 206 °C |
Density: | 1.133 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD01631532 |
LogP: | 1.94660 |
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-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20200228 |
WO-2021113806-A1 | Arylamides and methods of use thereof | 20191205 |
WO-2021048241-A1 | Radiolabeled compounds | 20190912 |
WO-2021032033-A1 | Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof | 20190816 |
WO-2020191339-A1 | Photoaffinity probes | 20190320 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.048093005 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.048093005 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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