AG002B5Q

1979-29-9 | Benzoic acid, 2-(trifluoromethoxy)-

AG002B5Q

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CAS Number	1979-29-9
Catalog Number	AG002B5Q(AGN-PC-0WA5GF)
Chemical Name	Benzoic acid, 2-(trifluoromethoxy)-
IUPAC Name	2-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI Key	JMYSPFGUBNENSE-UHFFFAOYSA-N
MDL Number	MFCD00052325
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	O=C(O)C1=CC=CC=C1OC(F)(F)F
Synonyms	colterol, colterol acetate, colterol acetate (1:1) salt, (+-)-isomer, colterol acetate salt, (R)-isomer, colterol hydrochloride, colterol methanesulfonate, colterol methanesulfonate, (+-)-isomer, colterol, (+-)-isomer, colterol, (R)-isomer, KWD 2026, KWD-2026, N-t-butylarterenol, S-1541, t-butylnorepinephrine, Win 5563, 2-(Trifluoromethoxy)benzoic acid, 1979-29-9, 150436-84-3, o-trifluoromethoxybenzoic acid, alpha,alpha,alpha-Trifluoro-o-anisic Acid, 2-Trifluoromethoxy-benzoic acid, MFCD00052325, RARECHEM AL BO 0449, PubChem4587, AC1MCRJV, ACMC-209f2a, AC1Q72IZ, AC1Q73NU, 2-trifluoromethoxybenzoic acid, KSC494O7T, SCHEMBL219675, 2-trifluoromethoxy benzoic acid, CTK3J4779, KS-00000CRV, 2-(trifluoromethoxy)-benzoic acid, JMYSPFGUBNENSE-UHFFFAOYSA-N, ZINC167135, ACT12083, JRD-0153, ANW-23792, Benzoic acid, 2-(trifluoromethoxy)-, CT-169, SBB064323, STL195579, AKOS005254634, AC-4013, AS00955, AS01912, CM12886, CS-W015345, DS-1079, MCULE-3664743205, PS-8083, RTR-006140, TF10377, TRA0040109, VZ23338, 2-(Trifluoromethoxy)benzoic acid, 96%, O-(TRIFLUOROMETHOXY)BENZOIC ACID, AJ-16599, AK-41518, BR-41518, SC-49253, ST096080, SY017703, U704, AB0019412, DB-030749, TL8001622, TR-006140, AM20061237, FT-0608938, FT-0654555, ST24032358, EN300-86538, S-1541, MFCD00052325 (97+%), I01-4623, I04-0392, W-201735, F0001-0705, K2P, 2-(Trifluoromethoxy)benzoicacid, C8H5F3O3, CID2777223, T2382, 2-(Trifluoromethoxy)benzoic acid, 97% - 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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number