Methyl 4-Fluoro-2-methylbenzoate - CAS 174403-69-1
Catalog: |
BB013009 |
Product Name: |
Methyl 4-Fluoro-2-methylbenzoate |
CAS: |
174403-69-1 |
Synonyms: |
4-fluoro-2-methylbenzoic acid methyl ester; methyl 4-fluoro-2-methylbenzoate |
IUPAC Name: | methyl 4-fluoro-2-methylbenzoate |
Description: | Methyl 4-Fluoro-2-methylbenzoate (CAS# 174403-69-1) is a useful research chemical. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)F)C(=O)OC |
InChI: | InChI=1S/C9H9FO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3 |
InChI Key: | ZQFCTCYDRQFPBU-UHFFFAOYSA-N |
LogP: | 1.92070 |
Publication Number | Title | Priority Date |
WO-2021093839-A1 | Pyrrolopyrimidine compound as btk inhibitor and use thereof | 20191113 |
WO-2021086726-A1 | Improved methods, kits, compositions and dosing regimens for the use of heterocyclic inhibitors of erk1 and erk2 | 20191028 |
WO-2020231739-A2 | Compounds and methods for treating cancer | 20190510 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020089478-A1 | New tetrahydropyrimidodiazepin and tetrahydropyridodiazepin compounds for treating pain and pain related conditions | 20181102 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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