AG003IK7

85068-33-3 | 3,5-Bis(trifluoromethyl)phenylacetic Acid

AG003IK7

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CAS Number	85068-33-3
Catalog Number	AG003IK7(AGN-PC-0JLOJQ)
Chemical Name	3,5-Bis(trifluoromethyl)phenylacetic Acid
EC Number	285-295-6
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChI Key	PAWSKKHEEYTXSA-UHFFFAOYSA-N
MDL Number	MFCD00009908
Molecular Formula	C10H6F6O2
Molecular Weight	272.1439
SMILES	O=C(O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Synonyms	3,5-Bis(trifluoromethyl)phenylacetic acid, 85068-33-3, 2-(3,5-bis(trifluoromethyl)phenyl)acetic acid, 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid, Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, MFCD00009908, 3,5-bis-trifluoromethylphenylacetic acid, PAWSKKHEEYTXSA-UHFFFAOYSA-N, 3,5-DI(TRIFLUOROMETHYL)PHENYLACETIC ACID, 3,5-Bis(trifluoromethyl)phenylaceticacid, 3,5-bis(trifluoromethyl)benzeneacetic acid, 3,5-bis-(trifluoromethyl)phenylacetic acid, [3,5-Bis(trifluoromethyl)phenyl]acetic acid, 2-[3,5-di(trifluoromethyl)phenyl]acetic acid, fxffr c1vq exfff, EINECS 285-295-6, PubChem2732, MBT-PAA, AC1L3WXD, ACMC-209q3q, AC1Q4JJ8, KSC450A1R, SCHEMBL504122, AC1Q74W5, RARECHEM AL BO 0246, CTK3F0018, KS-00000XAM, TIMTEC-BB SBB001068, DTXSID10234137, ZINC120202, ACT00788, ANW-38100, SBB001068, AKOS005255102, 3,5-bistrifluoromethylphenylacetic acid, AB01006, AC-2659, AM62277, AN-6253, AS01950, CB-1418, MCULE-9872770253, PS-7275, RP29655, RTR-026609, VZ25660, TRA-0205641, 3,5-bis(triflouromethyl)phenylacetic acid, 3?5-Bis(trifluoromethyl)phenylacetic acid, AJ-11674, BR-36560, ST057595, SY002443, 3,5-bis(trifluoromethyl) benzeneacetic acid, 3,5-bis(trifluoromethyl)-phenylacetic acid, 3,5-bis(trifluoromethyl)phenyl acetic acid, 3,5-di-(trifluoromethyl)-phenylacetic acid, AB0010833, DB-021985, ST2403863, TR-026609, FT-0614471, Benzeneaceticacid, 3,5-bis(trifluoromethyl)-, MFCD00009908 (98%), [3,5-Bis(trifluoromethyl)phenyl]acetic acid #, 3,5-Bis(trifluoromethyl)phenylacetic acid 98%, A21768, C-4834, 3,5-Bis(trifluoromethyl)phenylacetic acid, 98%, [3,5 -Bis-(trifluoromethyl)-phenyl]-acetic Acid, I01-3740, W-104095, C10H6F6O2, AR-1J1090, C10-H6-F6-O2, CID123587, ACN-050288, 3,5-di(trifluoromethyl) phenylacetic acid, B1976, D1161, 3,5-Bis(trifluoromethyl)phenylacetic acid, 98% - 25G 25g, 110888-15-8, 91133-72-1,

Complexity	287
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-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

Lot Number