AG001VRI

161622-05-5 | Benzoic acid, 3-fluoro-5-(trifluoromethyl)-

AG001VRI

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CAS Number	161622-05-5
Catalog Number	AG001VRI(AGN-PC-0JS8R0)
Chemical Name	Benzoic acid, 3-fluoro-5-(trifluoromethyl)-
IUPAC Name	3-fluoro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	NSGKIIGVPBTOBF-UHFFFAOYSA-N
MDL Number	MFCD00061293
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC(F)=C1
Synonyms	3-Fluoro-5-(trifluoromethyl)benzoic acid, 161622-05-5, 3-fluoro-5-trifluoromethylbenzoic acid, alpha,alpha,alpha,5-Tetrafluoro-m-toluic Acid, Benzoic acid, 3-fluoro-5-(trifluoromethyl)-, MFCD00061293, NSGKIIGVPBTOBF-UHFFFAOYSA-N, 3-Fluoro-5-(trifluoromethyl)benzoic acid, 98%, 5-fluoro-3-(trifluoromethyl)benzoic acid, Maybridge4_001933, AC1LARWT, ACMC-1BWLQ, Intermediates-ZCF02214, KSC496A7R, SCHEMBL586089, AC1Q72T2, RARECHEM AL BO 0634, CTK3J6078, KS-00000CQY, DTXSID20333928, BUTTPARK 32\01-71, HMS1526H19, ZINC156123, a,a,a,5-tetrafluoro-m-toluic acid, ACN-S004336, JRD-0140, ANW-21946, BBL100256, SBB063895, STL553825, TD1017, A,A,A,-5-Tetrafluoro-M-toluic acid, AKOS005258581, AB02414, AM61334, AS02481, CCG-238497, CM12795, CS-W002290, MCULE-1607827280, PS-8046, RP26399, RTR-006896, TRA0045294, VZ26843, 3-fluoro-5-trifluoromethyl benzoic acid, 3-fluoro-5-trifluoromethyl-benzoic acid, 3-Fluoro-5-(trifluoromethyl)benzoicAcid, NCGC00177103-01, AC-28674, AJ-13704, AK-33539, AN-17064, BR-33539, I286, SC-46039, SY016856, 3-Fluoro-5-(Trifluoromethyl) benzoic acid, AB0013595, TR-006896, 4CH-006818, F0759, FT-0615702, ST24028531, ST50319730, TL80074079, A20352, M-2128, MFCD00061293 (97+%), I01-3242, J-512513, BRD-K07182619-001-01-5, Z1741957043, C8H4F4O2, CID519222, 3-Fluoro-5-(trifluoromethyl)benzoic acid, 98% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.112g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^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

Lot Number