AG007QH1

20372-66-1 | Methyl 2,4,5-trifluorobenzoate

AG007QH1

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CAS Number	20372-66-1
Catalog Number	AG007QH1(AGN-PC-002WK6)
Chemical Name	Methyl 2,4,5-trifluorobenzoate
IUPAC Name	methyl 2,4,5-trifluorobenzoate
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
MDL Number	MFCD06203702
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	O=C(OC)C1=CC(F)=C(F)C=C1F
Synonyms	METHYL 2,4,5-TRIFLUOROBENZOATE, 20372-66-1, 2,4,5-Trifluorobenzoic acid methyl ester, Benzoic acid, 2,4,5-trifluoro-, methyl ester, 2,4,5-Trifluorobenzoicacidmethylester, SCHEMBL410165, CTK0J9002, KS-00000RVR, DTXSID10564986, WHJMGBFVYCLTFS-UHFFFAOYSA-N, 6881AD, MFCD06203702, ZINC21298582, AKOS006293996, AM83033, AS-9346, CM12878, RP24965, AJ-78206, AK142197, SY045546, TL8001690, FT-0728245, MFCD06203702 (95%), J-507057, C8H5F3O2,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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