5-Fluoro-3-methylsalicylaldehyde - CAS 704884-74-2
Catalog: |
BB034159 |
Product Name: |
5-Fluoro-3-methylsalicylaldehyde |
CAS: |
704884-74-2 |
Synonyms: |
5-fluoro-2-hydroxy-3-methylbenzaldehyde |
IUPAC Name: | 5-fluoro-2-hydroxy-3-methylbenzaldehyde |
Description: | 5-Fluoro-3-methylsalicylaldehyde (CAS# 704884-74-2) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | CC1=C(C(=CC(=C1)F)C=O)O |
InChI: | InChI=1S/C8H7FO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3 |
InChI Key: | FDUNAMXDKSETQT-UHFFFAOYSA-N |
MDL: | MFCD04039244 |
LogP: | 1.65220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-102293986-B1 | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
KR-20210052330-A | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
WO-2021086077-A1 | Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease | 20191030 |
CA-3063632-A1 | Benzofurane and benzothiophene derivatives as pge2 receptor modulators | 20170518 |
CN-110621671-A | Benzofuran and benzothiophene derivatives as PGE2 receptor modulators | 20170518 |
Complexity: | 149 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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