Methyl 4-Fluoro-3-methylbenzoate - CAS 180636-50-4
Catalog: |
BB013733 |
Product Name: |
Methyl 4-Fluoro-3-methylbenzoate |
CAS: |
180636-50-4 |
Synonyms: |
4-fluoro-3-methylbenzoic acid methyl ester; methyl 4-fluoro-3-methylbenzoate |
IUPAC Name: | methyl 4-fluoro-3-methylbenzoate |
Description: | Methyl 4-Fluoro-3-methylbenzoate (CAS# 180636-50-4) is a useful research chemical. |
Molecular Weight: | 168.17 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)F |
InChI: | InChI=1S/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3 |
InChI Key: | OCDIFIYFPFLAOU-UHFFFAOYSA-N |
Boiling Point: | 219.2 °C at 760 mmHg |
Density: | 1.137 g/cm3 |
MDL: | MFCD06203783 |
LogP: | 1.92070 |
Publication Number | Title | Priority Date |
WO-2020207941-A1 | Heterocyclic compounds as inhibitors of monoacylglycerol lipase (magl) | 20190409 |
TW-202104236-A | New heterocyclic compounds | 20190409 |
WO-2020132566-A1 | Sting pyrazole agonists and uses thereof | 20181221 |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
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: | 2.2 |
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