AG0025NK

177952-39-5 | 2,4-Bis(trifluoromethyl)phenylacetic acid

AG0025NK

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CAS Number	177952-39-5
Catalog Number	AG0025NK(AGN-PC-0KK7MN)
Chemical Name	2,4-Bis(trifluoromethyl)phenylacetic acid
IUPAC Name	2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChI Key	BCHGLBXVODTIEE-UHFFFAOYSA-N
MDL Number	MFCD00042492
Molecular Formula	C10H6F6O2
Molecular Weight	272.1439
SMILES	FC(C1=C(C=CC(=C1)C(F)(F)F)CC(=O)O)(F)F
Synonyms	2,4-Bis(trifluoromethyl)phenylacetic acid, 177952-39-5, 2,4-ditrifluoromethylphenylacetic acid, 2-[2,4-bis(trifluoromethyl)phenyl]acetic Acid, [2,4-bis(trifluoromethyl)phenyl]acetic acid, Benzeneacetic acid, 2,4-bis(trifluoromethyl)-, RARECHEM AL BO 0404, (2,4-bis-trifluoromethyl-phenyl)-acetic acid, MFCD00042492, AK-33765, PubChem2199, AC1MC4ZO, 2,4-bis(trifluoromethyl)-phenyl acetic acid, ACMC-209xc8, KSC536M3P, AC1Q74V2, SCHEMBL3741058, CTK4D6637, DTXSID40371180, BCHGLBXVODTIEE-UHFFFAOYSA-N, ACT00469, JRD-0406, KS-00000ZK6, ZINC2584341, ZX-AP002958, ANW-47478, BBL100765, CK1031, PC3202, SBB064341, STL554559, AKOS005255450, AC-4181, AM83024, AN-6250, AS01949, CB-1416, CS-W012360, PS-7274, RTR-008144, TRA0033845, VZ22460, AJ-43411, BR-33765, CC-07254, SY045448, 2,4-bis-(trifluoromethyl)phenylacetic acid, AB0030473, AX8000373, DB-044312, ST2403655, TR-008144, 2,4 - Bis(trifluoromethyl)phenylacetic acid, 2,4-bis(trifluoromethyl) phenyl acetic acid, 2,4-bis(trifluoromethyl)phenylaceticacid98%, 4CH-017841, FT-0643721, X2671, Benzeneacetic acid,2,4-bis(trifluoromethyl)-, MFCD00042492 (97%), 2,4-bis(trifluoromethyl)phenylacetic acid 98%, A21764, C-6213, 952B395, C-17122, I01-4658, FC(F)(F)C1=C(CC(O)=O)C=CC(C(F)(F)F)=C1, C10H6F6O2, ACN-040310, CID2736172, 110-46-3,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.027g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.146g/mol
Monoisotopic Mass	272.027g/mol
Rotatable Bond Count	2
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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