AG000FQX

115029-24-8 | Benzoic acid, 2-fluoro-4-(trifluoromethyl)-

AG000FQX

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CAS Number	115029-24-8
Catalog Number	AG000FQX(AGN-PC-0JS84N)
Chemical Name	Benzoic acid, 2-fluoro-4-(trifluoromethyl)-
IUPAC Name	2-fluoro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	OCIYTBZXTFPSPI-UHFFFAOYSA-N
MDL Number	MFCD00010322
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	OC(=O)C1=C(F)C=C(C=C1)C(F)(F)F
Synonyms	2-Fluoro-4-(trifluoromethyl)benzoic acid, 115029-24-8, 2-fluoro-4-trifluoromethylbenzoic acid, 2-Fluoro-4-(trifluoromethyl)benzoicacid, alpha,alpha,alpha,2-Tetrafluoro-p-toluic acid, Benzoic acid, 2-fluoro-4-(trifluoromethyl)-, MFCD00010322, OCIYTBZXTFPSPI-UHFFFAOYSA-N, AK-32898, ACMC-20aidb, PubChem2079, AC1LAPSQ, KSC509C3F, SCHEMBL283914, AC1Q72B1, RARECHEM AL BO 0632, CTK4A9132, KS-00000CUS, ZINC56690, DTXSID10333770, 4-Carboxy-3-fluorobenzotrifluoride, ACT12052, JRD-0011, ZX-AP003858, ANW-74733, CF-926, CK1084, PC4373, SBB052827, AKOS005258546, AC-3988, AM61266, AS01883, CM12791, FCH1319770, MCULE-8477728485, PS-8047, RTR-002879, TRA0083125, 2-fluoro-4-trifluoromethyl benzoic acid, 2-fluoro-4-trifluoromethyl-benzoic acid, AJ-09364, AN-12397, CC-10587, N612, SC-74326, SY022939, 2-fluoro-4-(trifluoromethyl) benzoic acid, 2-fluoro-4-(trifluoromethyl)-benzoic acid, AB0015913, AB1005411, AX8005650, DB-030848, ST2416885, TR-002879, Benzoic acid,2-fluoro-4-(trifluoromethyl)-, FT-0612324, ST50307032, MFCD00010322 (97%), A20050, C-5336, 2-Fluoro-4-(trifluoromethyl)benzoic acid, 99%, 4-Carboxy-alpha,alpha,alpha,3-tetrafluorotoluene, C-10537, I01-3040, J-003220, C8H4F4O2, CID518003, ACN-050249, |A,|A,|A,2-Tetrafluoro-p-toluic acid, 2-Fluoro-4-(trifluoromethyl)benzoic acid, 98% - 1G 1g, ,a,a,2-tetrafluoro-p-toluic acid;2-Fluoro-4-(trifluoromethyl)benzoic acid, 115010-11-2,

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	3.4

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