AG007GG4

349-82-6 | 2-(3-(Trifluoromethyl)phenoxy)acetic acid

AG007GG4

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CAS Number	349-82-6
Catalog Number	AG007GG4(AGN-PC-0KAYIS)
Chemical Name	2-(3-(Trifluoromethyl)phenoxy)acetic acid
IUPAC Name	2-[3-(trifluoromethyl)phenoxy]acetic acid
InChI	InChI=1S/C9H7F3O3/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	KTTDWGZRVMNQNZ-UHFFFAOYSA-N
MDL Number	MFCD03147381
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)COC1=CC=CC(C(F)(F)F)=C1
Synonyms	349-82-6, (3-Trifluoromethyl-phenoxy)-acetic acid, [3-(trifluoromethyl)phenoxy]acetic acid, 2-(3-(Trifluoromethyl)phenoxy)acetic acid, 2-[3-(trifluoromethyl)phenoxy]acetic acid, 3-(trifluoromethyl)phenoxyacetic acid, BAS 15351576, [(3-Trifluoromethylphenyl)oxy]acetic acid, Enamine_004623, AC1M06IW, SCHEMBL585546, CHEMBL3247410, CTK4H3382, DTXSID90365837, KTTDWGZRVMNQNZ-UHFFFAOYSA-N, HMS1407C03, AC1Q7656, ALBB-000258, ZINC2390395, 1130AE, 3-trifluoromethyl-phenoxy-acetic acid, BBL015149, MFCD03147381, SBB018158, STK320001, AKOS000100821, MCULE-7529678254, 2-[3-trifluoromethylphenoxyl]acetic acid, AJ-35677, AS-40372, TR-045326, 2-[3-(trifluoromethyl)phenoxy]ethanoic acid, ST24039279, ST50334298, (3-TRIFLUOROMETHYL-PHENOXY)-ACETICACID, Acetic acid,2-[3-(trifluoromethyl)phenoxy]-, EN300-00071, Y-0138, A822493, AP-501/40159153, J-507649, BRD-K56851627-001-01-5, Z56869429, C9H7F3O3, CID1991430,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.147g/mol
Monoisotopic Mass	220.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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