AG00I9GA

5292-42-2 | Benzoic acid, 2,3,4,5-tetrafluoro-, methyl ester

AG00I9GA

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CAS Number	5292-42-2
Catalog Number	AG00I9GA(AGN-PC-0JTLA2)
Chemical Name	Benzoic acid, 2,3,4,5-tetrafluoro-, methyl ester
IUPAC Name	methyl 2,3,4,5-tetrafluorobenzoate
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
MDL Number	MFCD06203829
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(OC)C1=CC(F)=C(F)C(F)=C1F
Synonyms	Methyl 2,3,4,5-tetrafluorobenzoate, 5292-42-2, 2,3,4,5-tetrafluorobenzoic acid methyl ester, 2,3,4,5-tetrafluoro-benzoic acid methyl ester, MAEQYZYOSFAUAF-UHFFFAOYSA-N, 2,3,4,5-TETRAFLUORO-BENZOICACIDMETHYLESTER, Benzoic acid, 2,3,4,5-tetrafluoro-, methyl ester, AC1LCIU1, SCHEMBL1994444, CTK6I9321, DTXSID00344996, 5003AE, MFCD06203829, SBB093982, ZINC16158226, AKOS015962057, AS-8769, Methyl 2,3,4,5-tetrafluorobenzoate #, AJ-68498, SY045475, DB-052209, 2,3,4,5tetrafluorobenzoic acid methyl ester, CS-0061820, FT-0635602, methyl 2,3,4,5-tetrakis(fluoranyl)benzoate, 3,4,5,6-tetrafluorobenzoic acid methyl ester, MFCD06203829 (95%), A829311, C8H4F4O2, CID600996,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.112g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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