AG001UG4

163839-73-4 | Acetic acid, 2-[4-(trifluoromethyl)phenoxy]-

AG001UG4

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CAS Number	163839-73-4
Catalog Number	AG001UG4(AGN-PC-0KKYBN)
Chemical Name	Acetic acid, 2-[4-(trifluoromethyl)phenoxy]-
IUPAC Name	2-[4-(trifluoromethyl)phenoxy]acetic acid
InChI	InChI=1S/C9H7F3O3/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	NTBSLTKYEVAWEE-UHFFFAOYSA-N
MDL Number	MFCD03094458
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	OC(=O)COC1=CC=C(C=C1)C(F)(F)F
Synonyms	163839-73-4, 2-[4-(trifluoromethyl)phenoxy]acetic Acid, 4-(Trifluoromethyl)phenoxyacetic acid, 2-(4-(Trifluoromethyl)phenoxy)acetic acid, [4-(Trifluoromethyl)phenoxy]acetic acid, AC1MCRTA, AC1Q765T, SCHEMBL2111994, CTK7J5426, KS-00003QWZ, DTXSID30380569, BUTTPARK 51\07-04, NTBSLTKYEVAWEE-UHFFFAOYSA-N, ZINC2243319, 8329AA, BBL100204, MFCD03094458, SBB052675, STL553770, 4-(trifluoromethyl)phenoxy acetic acid, AKOS000103157, AS06235, CM13908, MCULE-8110453150, PS-6863, [4-(trifluoromethyl)phenoxy]-acetic acid, AJ-34288, RT-009324, EN300-43915, Acetic acid, 2-[4-(trifluoromethyl)phenoxy]-, K-5119, Z228583530, C9H7F3O3, CID2777570, 2-[4-(Trifluoromethyl)phenoxy]-acetic acid,

Complexity	219
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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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