Methyl 2,4,5-Trifluorobenzoate - CAS 20372-66-1

Catalog:	BB015865
Product Name:	Methyl 2,4,5-Trifluorobenzoate
CAS:	20372-66-1
Synonyms:	2,4,5-trifluorobenzoic acid methyl ester; methyl 2,4,5-trifluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2,4,5-trifluorobenzoate
Description:	Methyl 2,4,5-Trifluorobenzoate (CAS# 20372-66-1) is a useful research chemical.
Molecular Weight:	190.12
Molecular Formula:	C8H5F3O2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1F)F)F
InChI:	InChI=1S/C8H5F3O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3
InChI Key:	WHJMGBFVYCLTFS-UHFFFAOYSA-N
Boiling Point:	211.7 °C at 760 mmHg
Density:	1.358 g/cm³
MDL:	MFCD06203702
LogP:	1.89050

Publication Number	Title	Priority Date
US-2018080314-A1	Method of allocating individual oil or water production contributions from multiple combined sources	20160921
WO-2018057219-A1	Method of allocating individual oil or water production contributions from multiple combined sources	20160921
EP-3166939-A1	Therapeutic compounds and methods of use thereof	20140707
EP-3166939-B1	Therapeutic compounds and methods of use thereof	20140707
US-10005724-B2	Therapeutic compounds and methods of use thereof	20140707

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.02416388
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.02416388
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2