Methyl 3-Fluoro-4-methylbenzoate - CAS 87808-48-8

Catalog:	BB038641
Product Name:	Methyl 3-Fluoro-4-methylbenzoate
CAS:	87808-48-8
Synonyms:	3-fluoro-4-methylbenzoic acid methyl ester; methyl 3-fluoro-4-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-fluoro-4-methylbenzoate
Description:	Methyl 3-Fluoro-4-methylbenzoate (CAS# 87808-48-8) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)OC)F
InChI:	InChI=1S/C9H9FO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key:	RAFFOVQBMRBRCS-UHFFFAOYSA-N
Boiling Point:	222.1 °C at 760 mmHg
Density:	1.137 g/cm³
MDL:	MFCD06203786
LogP:	1.92070

Publication Number	Title	Priority Date
WO-2020113094-A1	Pyrrole and pyrazole compounds and methods of use thereof	20181130
US-2020239433-A1	Pyrrole and pyrazole compounds and methods of use thereof	20181130
EP-3886854-A1	Pyrrole and pyrazole compounds and methods of use thereof	20181130
US-11034669-B2	Pyrrole and pyrazole compounds and methods of use thereof	20181130
US-10676465-B2	GLP-1 receptor agonists and uses thereof	20180613

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Carbonyl Compounds

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N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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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