AG000GU2

115754-21-7 | Benzoic acid, 3-fluoro-4-(trifluoromethyl)-

AG000GU2

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CAS Number	115754-21-7
Catalog Number	AG000GU2(AGN-PC-0JUYM6)
Chemical Name	Benzoic acid, 3-fluoro-4-(trifluoromethyl)-
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	HRIHSNPFVGMAKX-UHFFFAOYSA-N
MDL Number	MFCD00236279
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)c1ccc(c(F)c1)C(F)(F)F
Synonyms	3-Fluoro-4-(trifluoromethyl)benzoic acid, 115754-21-7, Benzoic acid, 3-fluoro-4-(trifluoromethyl)-, 3-fluoro-4-trifluoromethylbenzoic acid, MFCD00236279, alpha,alpha,alpha,3-Tetrafluoro-p-toluic Acid, PubChem4970, AC1LELRO, ACMC-1C70E, KSC179K4T, SCHEMBL850429, AC1Q730N, CTK0H9549, KS-00000CSP, ZINC57042, DTXSID30350863, HRIHSNPFVGMAKX-UHFFFAOYSA-N, ACT12055, JRD-0542, ANW-54119, BBL101049, CF-930, SBB064298, STL554843, AKOS005063815, AC-3991, AM61265, AS01885, CM12794, CS-W002573, MCULE-8220261625, PS-8044, RP26401, RTR-002966, TRA0026144, VZ26792, WT81288, 3-Fluoro-4(trifluoromethyl)benzoic acid, 3-fluoro-4-trifluoromethyl-benzoic acid, 3-Fluoro-4-(trifluoromethyl)benzoicAcid, 3-Fluoro-4-(trifluoromethyl)benzoic aicd, AJ-09548, AK-32911, AN-12400, SC-87224, SY018909, AB0004782, DB-030922, ST2410685, TR-002966, 4CH-002471, F0758, FT-0615679, ST50307527, X4500, M-6832, 3-Fluoro-4-(trifluoromethyl)benzoic acid, 98%, MFCD00236279 (97+%), 3S100332, I01-4582, J-512475, Z1741959079, C8H4F4O2, CID688293, ACN-050277, -Fluoro-4-(trifluoromethyl)benzoic acid, C2431, 3-Fluoro-4-(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

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