AG0004EW

1014-81-9 | Benzoic acid, 3-(trifluoromethoxy)-

AG0004EW

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CAS Number	1014-81-9
Catalog Number	AG0004EW(AGN-PC-0JL6ZC)
Chemical Name	Benzoic acid, 3-(trifluoromethoxy)-
EC Number	213-802-2
IUPAC Name	3-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	OKPFIWIMBJNFSE-UHFFFAOYSA-N
MDL Number	MFCD00041501
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	C1=C(C=C(C=C1)OC(F)(F)F)C(=O)O
Synonyms	3-(Trifluoromethoxy)benzoic acid, 1014-81-9, m-Trifluoromethoxybenzoic acid, Benzoic acid, 3-(trifluoromethoxy)-, m-(trifluoromethoxy)benzoic acid, 3-trifluoromethoxybenzoic acid, 3-(Trifluoromethoxy)benzoicacid, alpha,alpha,alpha-Trifluoro-m-anisic Acid, 3-Carboxy-alpha,alpha,alpha-trifluoroanisole, 3-Trifluoromethoxy-benzoic acid, OKPFIWIMBJNFSE-UHFFFAOYSA-N, MFCD00041501, 3-(Trifluoromethoxy)benzoic acid, 98%, EINECS 213-802-2, PubChem4590, ACMC-1BTYB, KSC489O1N, CHEMBL69854, SCHEMBL496275, 3-trifluoromethoxy benzoic acid, AC1L24M8, RARECHEM AL BO 0437, CTK3I9716, KS-00000FFC, TIMTEC-BB SBB006595, DTXSID00143906, 3-(trifluoromethoxy)-benzoic acid, 3-(Trifluoromethoxy)benzoic acid, 3-(Trifluoromethoxy)benzoic acid., ZINC164779, 3-Carboxy- , , -trifluoroanisole, 3-(Trifluoromethoxy)benzoic acid #, AC1Q7339, ACT00746, ALBB-006015, JRD-0648, ANW-14474, CL8097, CT-170, SBB006595, STK503670, 3-[(trifluoromethyl)oxy]benzoic acid, AKOS002663546, AC-4014, AN-6226, AS01913, BS-4164, CM12887, CS-W008406, DS-1084, MCULE-6782708879, RP26210, RTR-000385, TF10379, TRA0004383, 3-(Trifluoromethoxy)benzoic acid, 97%, AJ-16282, AK-41820, BR-41820, S260, SC-00083, AB0018541, DB-021754, TR-000385, AM20060102, FT-0613903, ST24028364, ST50306926, A-4110, I04-0390, W-108915, F0293-0013, C8H5F3O3, C8-H5-F3-O3, CID66096, A1470, T2383, 3-(Trifluoromethoxy)benzoic acid, 95% - 1G 1g,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.12g/mol
Monoisotopic Mass	206.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number