Methyl 2,4-Difluorophenylacetate - CAS 95299-17-5
Catalog: |
BB041674 |
Product Name: |
Methyl 2,4-Difluorophenylacetate |
CAS: |
95299-17-5 |
Synonyms: |
2-(2,4-difluorophenyl)acetic acid methyl ester; methyl 2-(2,4-difluorophenyl)acetate |
IUPAC Name: | methyl 2-(2,4-difluorophenyl)acetate |
Description: | Methyl 2,4-Difluorophenylacetate (CAS# 95299-17-5 ) is a useful research chemical. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | COC(=O)CC1=C(C=C(C=C1)F)F |
InChI: | InChI=1S/C9H8F2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3 |
InChI Key: | PSJRCJPFUFWIJU-UHFFFAOYSA-N |
MDL: | MFCD12031752 |
LogP: | 1.68030 |
Publication Number | Title | Priority Date |
CN-112480101-A | IRAK4 kinase inhibitor and preparation and application thereof | 20190912 |
WO-2021047677-A1 | Irak4 kinase inhibitor and preparation thereof and use thereof | 20190912 |
CN-110885328-A | Sulfonamide compounds as sodium channel blockers and uses thereof | 20180910 |
EP-3642204-A1 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | 20170621 |
US-2020123166-A1 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | 20170621 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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