AG001QAW

158580-93-9 | Benzoic acid, 3-chloro-4-(trifluoromethoxy)-

AG001QAW

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CAS Number	158580-93-9
Catalog Number	AG001QAW(AGN-PC-0KKVQD)
Chemical Name	Benzoic acid, 3-chloro-4-(trifluoromethoxy)-
IUPAC Name	3-chloro-4-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	QGVQWEOEEXGRSD-UHFFFAOYSA-N
MDL Number	MFCD01631556
Molecular Formula	C8H4ClF3O3
Molecular Weight	240.5638
SMILES	O=C(O)C1=CC=C(OC(F)(F)F)C(Cl)=C1
Synonyms	3-Chloro-4-(trifluoromethoxy)benzoic acid, 158580-93-9, 3-Chloro-4-(trifluoromethoxy)benzoicacid, 3-chloro-4-[(trifluoromethyl)oxy]benzoic acid, 3-chloro-4-trifluorobenzoic acid, Benzoic acid, 3-chloro-4-(trifluoromethoxy)-, 3-CHLORO-4-TRIFLUOROMETHOXYBENZOIC ACID, 4-Carboxy-2-chloro-alpha,alpha,alpha-trifluoroanisole, 158580-93-9 3-Chloro-4-(trifluoromethoxy)benzoicacid, AC1MCNJM, PubChem10176, KSC498C2J, SCHEMBL403102, CTK3J8124, DTXSID30378744, QGVQWEOEEXGRSD-UHFFFAOYSA-N, ACT12193, ZINC2382246, ANW-48331, CL8081, MFCD01631556, SBB099318, WT1920, WT2101, AKOS015909275, PS-7581, RP28444, RTC-030051, TRA0061728, VZ26603, AC-26029, AJ-34797, AK-33492, BR-33492, SC-82877, SY017563, 3-chloro-4-(trifluoromethoxy)benzouc acid, AB0030065, DB-006399, ST2405015, TC-030051, 4CH-017833, Benzoic acid,3-chloro-4-(trifluoromethoxy)-, CS-0081118, FT-0689413, X2253, TL800742101, 3-chloro-4-(trifluoromethoxy)benzoic acid 97%, A20238, S-2330, 3-chloro-4-(trifluoromethoxy)benzoic acid 97+%, MFCD01631556 (97+%), J-512214, I14-33079, C8H4ClF3O3, CID2773845,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.98g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.562g/mol
Monoisotopic Mass	239.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

Lot Number