AG003LE1

195447-80-4 | 2-(4-Fluoro-2-(Trifluoromethyl)Phenyl)Acetic Acid

AG003LE1

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CAS Number	195447-80-4
Catalog Number	AG003LE1(AGN-PC-0KK8MK)
Chemical Name	2-(4-Fluoro-2-(Trifluoromethyl)Phenyl)Acetic Acid
IUPAC Name	2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-6-2-1-5(3-8(14)15)7(4-6)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChI Key	BMUFUJMVNODTAD-UHFFFAOYSA-N
MDL Number	MFCD00061189
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	O=C(O)CC1=CC=C(F)C=C1C(F)(F)F
Synonyms	C9 Complement, C9, Complement, Complement 9, Complement C9, Complement Component 9, Complement, C9, Component 9, Complement, 195447-80-4, 4-Fluoro-2-(trifluoromethyl)phenylacetic acid, 2-(4-Fluoro-2-(trifluoromethyl)phenyl)acetic acid, 2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic Acid, [4-fluoro-2-(trifluoromethyl)phenyl]acetic acid, MFCD00061189, Benzeneacetic acid, 4-fluoro-2-(trifluoromethyl)-, PubChem8434, complement component 9, AC1MC7JJ, SCHEMBL892786, CTK4E1763, DTXSID10372164, BMUFUJMVNODTAD-UHFFFAOYSA-N, KS-00003R5E, ZINC4265145, CK1030, SBB064733, AKOS005258304, PS-7830, RTR-009092, AJ-49945, 2-(Carboxymethyl)-5-fluorobenzotrifluoride, AB0030493, TR-009092, 4CH-022089, CS-0060424, FT-0653665, ST24039437, X2691, (2-trifluoromethyl-4-fluorophenyl)acetic acid, 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid, 4-Fluoro-2-(trifluoromethyl)phenyl acetic acid, 4-Fluoro-2-(trifluoromethyl)phenyl-acetic acid, C-5553, 4-fluoro-2-(trifluoromethyl)phenylaceticacid98%, Benzeneacetic acid,4-fluoro-2-(trifluoromethyl)-, 4-fluoro-2-(trifluoromethyl)phenylacetic acid 98%, I01-5563, J-515330, 2-(Carboxymethyl)-alpha,alpha,alpha,5-tetrafluorotoluene, [4-Fluoro-2-(trifluoromethyl)phenyl]acetic acid, AldrichCPR, C9H6F4O2, RARECHEM AL BO 0505, CID2737592, 4-Fluoro-3-(trifluoromethyl)phenylacetic acid, 2-(4-Fluoro-2-(trifluoromethyl)phenyl)aceticacid,

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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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