AG000FQY

115029-23-7 | Benzoic acid, 2-fluoro-5-(trifluoromethyl)-

AG000FQY

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CAS Number	115029-23-7
Catalog Number	AG000FQY(AGN-PC-0JUYM5)
Chemical Name	Benzoic acid, 2-fluoro-5-(trifluoromethyl)-
IUPAC Name	2-fluoro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	LIFKXWNFWIUMJT-UHFFFAOYSA-N
MDL Number	MFCD00061292
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC=C1F
Synonyms	2-Fluoro-5-(trifluoromethyl)benzoic acid, 115029-23-7, 2-fluoro-5-trifluoromethylbenzoic acid, alpha,alpha,alpha,6-Tetrafluoro-m-toluic Acid, Benzoic acid, 2-fluoro-5-(trifluoromethyl)-, MFCD00061292, 2-Fluoro-5-(trifluoromethyl)benzoicacid, 2-Fluoro-5-(Trifluoromethyl)Benzoic Acid 98%, Maybridge1_006396, 2-Fluoro-5-trifluoromethylbenzioc acid, PubChem4758, AC1LELRL, ACMC-1BVSF, SCHEMBL43771, KSC180K3F, AC1Q72V9, RARECHEM AL BO 0633, CTK0I0532, HMS559K16, ZINC57040, DTXSID70350862, LIFKXWNFWIUMJT-UHFFFAOYSA-N, 3-carboxy,4-fluorobenzotrifluoride, ACT00583, JRD-0126, ANW-16842, BBL100258, CF-702, EBD956544, SBB064296, STL553826, AKOS005257733, AC-3989, AS01886, CM12792, CS-W015233, DS-0811, MCULE-7607184824, PS-8051, RTR-002878, TRA0056645, VZ24589, 2-fluoro-5-trifluoromethyl-benzoic acid, KS-00000M48, AJ-09546, AK-32897, AN-12398, BR-32897, RH 00293, SC-00457, 2-fluoro-5-(trifluoromethyl)-benzoic acid, AB0008762, DB-041245, ST2416898, TR-002878, AM20060117, F0620, FT-0612347, ST50319733, M-2127, 2-Fluoro-5-(trifluoromethyl)benzoic acid, 98%, I01-4579, J-003219, C8H4F4O2, CID688292, ACN-056545, 2-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	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

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