AG003LE2

220227-47-4 | 4-Fluoro-3-(trifluoromethyl)phenylacetic acid

AG003LE2

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CAS Number	220227-47-4
Catalog Number	AG003LE2(AGN-PC-0KK8ML)
Chemical Name	4-Fluoro-3-(trifluoromethyl)phenylacetic acid
IUPAC Name	2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-7-2-1-5(4-8(14)15)3-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key	MGQPQAYFSXCYPW-UHFFFAOYSA-N
MDL Number	MFCD00061190
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	OC(=O)CC1=CC(=C(F)C=C1)C(F)(F)F
Synonyms	4-Fluoro-3-(trifluoromethyl)phenylacetic acid, 220227-47-4, 2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic Acid, 4-Fluoro-3-(trifluoromethyl)phenylaceticacid, 4-fluoro-3-(trifluoromethyl)-phenylacetic acid, 2-(4-fluoro-3-(trifluoromethyl)phenyl)acetic acid, PubChem4192, AC1MC7JL, ACMC-1C36Z, SCHEMBL308545, CTK4E8304, DTXSID70372165, MGQPQAYFSXCYPW-UHFFFAOYSA-N, ACT12814, KS-00003R5D, ZINC4265149, 1150AB, ANW-56149, CF-969, MFCD00061190, SBB064369, AKOS005258532, AC-9792, AS01976, PS-7829, RTR-010347, VZ35446, AJ-49946, 5-(Carboxymethyl)-2-fluorobenzotrifluoride, 4-fluoro-3-trifluoromethylphenylacetic acid, TR-010347, A4729, FT-0659245, ST24043735, (4-fluoro-3-trifluoromethyl-phenyl)acetic acid, C-5038, (4-fluoro-3-trifluoromethyl-phenyl)-acetic acid, [4-fluoro-3-(trifluoromethyl)phenyl]acetic acid, Benzeneacetic acid, 4-fluoro-3-(trifluoromethyl)-, 4-Fluoro-3-(trifluoromethyl)phenylacetic acid 98%, 4-Fluoro-3-(trifluoromethyl)phenylacetic acid, 97%, I01-4713, J-014427, C9H6F4O2, RARECHEM AL BO 0505, CID2737593,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.139g/mol
Monoisotopic Mass	222.03g/mol
Rotatable Bond Count	2
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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