AG003LMM

213598-09-5 | 4-Methoxy-3-(trifluoromethyl)benzoic acid

AG003LMM

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CAS Number	213598-09-5
Catalog Number	AG003LMM(AGN-PC-0KKWRG)
Chemical Name	4-Methoxy-3-(trifluoromethyl)benzoic acid
IUPAC Name	4-methoxy-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O3/c1-15-7-3-2-5(8(13)14)4-6(7)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key	VNWUPESTVBTYJM-UHFFFAOYSA-N
MDL Number	MFCD01091014
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)C1=CC=C(OC)C(C(F)(F)F)=C1
Synonyms	4-Methoxy-3-(trifluoromethyl)benzoic acid, 213598-09-5, 4-methoxy-3-trifluoromethyl-benzoic acid, MFCD01091014, 4-methoxy-3-trifluoromethylbenzoic acid, AC1MCQ4L, ACMC-1CR7H, SCHEMBL615379, AC1Q44T0, 3-Trifluoromethyl-p-anisic acid, CTK4E6577, DTXSID40379505, VNWUPESTVBTYJM-UHFFFAOYSA-N, JRD-0913, KS-00000N0K, ZINC2572883, 7253AD, SBB071493, AKOS005257931, CM12845, FS-1102, MCULE-2407515791, RTR-010019, 3-trifluoromethyl-4-methoxybenzoic acid, AK306033, ST096083, DB-045558, FT-0618885, M3095, Benzoic acid, 4-methoxy-3-(trifluoromethyl)-, 4-(methyloxy)-3-(trifluoromethyl)benzoic acid, C-5870, A815289, 4-Methoxy-3-(trifluoromethyl)benzoic acid, AldrichCPR, I01-14522, C9H7F3O3, ACN-056544, CID2775295, 3-Methoxy-4-(Trifluoromethyl)Benzoic Acid,

Complexity	239
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	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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