Methyl 2,3,4,5-Tetrafluorobenzoate - CAS 5292-42-2

Name: Methyl 2,3,4,5-Tetrafluorobenzoate
Brand: BOC Sciences
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Catalog:	BB027984
Product Name:	Methyl 2,3,4,5-Tetrafluorobenzoate
CAS:	5292-42-2
Synonyms:	2,3,4,5-tetrafluorobenzoic acid methyl ester; methyl 2,3,4,5-tetrafluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,3,4,5-tetrafluorobenzoate
Description:	Methyl 2,3,4,5-Tetrafluorobenzoate (CAS# 5292-42-2) is a useful research chemical.
Molecular Weight:	208.11
Molecular Formula:	C8H4F4O2
Canonical SMILES:	COC(=O)C1=CC(=C(C(=C1F)F)F)F
InChI:	InChI=1S/C8H4F4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3
InChI Key:	MAEQYZYOSFAUAF-UHFFFAOYSA-N
Boiling Point:	220.3 °C at 760 mmHg
Density:	1.443 g/cm³
MDL:	MFCD06203829
LogP:	2.02960

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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Publication Number	Title	Priority Date
WO-2021023154-A1	Tetracyclic compound, preparation method therefor and use thereof	20190802
CN-109293478-B	Method for preparing tetrafluorobenzyl alcohol	20181102
AU-2014347029-A1	Method and composition for hydraulic fracturing and for tracing petroleum production	20131105
CA-2929773-A1	Method and composition for hydraulic fracturing and for tracing petroleum production	20131105
CN-105849366-A	Method and composition for hydraulic fracturing and fr tracing petroleum production	20131105

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.01474201
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.01474201
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2