AG003KB8

72220-50-9 | 2-(4-(Trifluoromethoxy)phenoxy)acetic acid

AG003KB8

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CAS Number	72220-50-9
Catalog Number	AG003KB8(AGN-PC-0JV3BQ)
Chemical Name	2-(4-(Trifluoromethoxy)phenoxy)acetic acid
IUPAC Name	2-[4-(trifluoromethoxy)phenoxy]acetic acid
InChI	InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	QHSBEEUEIRDHCD-UHFFFAOYSA-N
MDL Number	MFCD00052352
Molecular Formula	C9H7F3O4
Molecular Weight	236.1447
SMILES	O(C(F)(F)F)c1ccc(cc1)OCC(=O)O
Synonyms	72220-50-9, 2-(4-(Trifluoromethoxy)phenoxy)acetic acid, 4-(Trifluoromethoxy)phenoxyacetic acid, [4-(trifluoromethoxy)phenoxy]acetic acid, 2-[4-(trifluoromethoxy)phenoxy]acetic acid, (4-trifluoromethoxy-phenoxy)-acetic acid, MFCD00052352, (4-(trifluoromethoxy)phenoxy)acetic acid, AK-81433, 2-[4-(trifluoromethyloxy)phenoxy]ethanoic acid, AC1Q4KHN, Maybridge1_006105, ACMC-20a5v1, AC1LF4X3, AE-641/13516020, SCHEMBL656941, AC1Q766B, CTK5D5735, HMS558N11, ZINC74329, DTXSID60351323, PC7439P, QHSBEEUEIRDHCD-UHFFFAOYSA-N, 4-trifluoromethoxyphenoxyacetic acid, ACT09578, BB_SC-06289, KS-00000N0L, ZX-AP001680, 1209AC, ANW-58523, BBL028040, KM1462, SBB040056, STK727412, AKOS000271180, MCULE-6264057589, PS-7646, VZ27998, (4-Trifluoromethoxyphenoxy)-acetic acid, AJ-10321, CC-16976, AX8007421, DB-055615, ST2403922, TC-147268, 4CH-018464, Acetic acid, [4-(trifluoromethoxy)phenoxy]-, FT-0616898, ST50179908, Acetic acid,2-[4-(trifluoromethoxy)phenoxy]-, A837454, A837616, C-13965, I14-100840, C9H7F3O4, KST-1A7890, AR-1A9070, CID697705, 7277-87-4,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.03g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.146g/mol
Monoisotopic Mass	236.03g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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