AG002S2O

261763-25-1 | 5-Chloro-2-(Trifluoromethyl)Phenylacetic Acid

AG002S2O

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CAS Number	261763-25-1
Catalog Number	AG002S2O(AGN-PC-0KKYOI)
Chemical Name	5-Chloro-2-(Trifluoromethyl)Phenylacetic Acid
IUPAC Name	2-[5-chloro-2-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6ClF3O2/c10-6-1-2-7(9(11,12)13)5(3-6)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key	GINCGCMLTQDEJC-UHFFFAOYSA-N
MDL Number	MFCD01631358
Molecular Formula	C9H6ClF3O2
Molecular Weight	238.5909
SMILES	OC(CC1=C(C(F)(F)F)C=CC(Cl)=C1)=O
Synonyms	5-Chloro-2-(trifluoromethyl)phenylacetic acid, 261763-25-1, 2-[5-chloro-2-(trifluoromethyl)phenyl]acetic Acid, MFCD01631358, (5-Chloro-2-trifluoromethyl-phenyl)-acetic acid, 2-(5-chloro-2-(trifluoromethyl)phenyl)acetic acid, PubChem4311, AC1MCSKZ, KSC495G3B, SCHEMBL671103, CTK3J5330, DTXSID10380784, GINCGCMLTQDEJC-UHFFFAOYSA-N, JRD-1039, KS-00000ZY3, ZINC2574971, ZX-AP006376, ANW-44439, CL8800, PC0200, SBB098978, AKOS005258498, JS-4173, RP28338, RTR-036298, ACM261763251, AJ-42296, AK-34420, AB0065784, AX8161269, ST2406189, TR-036298, FT-0084419, FT-0660268, 5-Chloro-2-(trifluoromethyl)phenyl acetic acid, A22118, C-6325, [5-chloro-2-(trifluoromethyl)phenyl]acetic acid, 5-CHLORO-2-TRIFLUOROMETHYLPHENYLACETIC ACID, Benzeneacetic acid, 5-chloro-2-(trifluoromethyl)-, I04-4815, J-517287, 5-chloro-2-(trifluoromethyl)phenylacetic acid, AldrichCPR, 5-CHLORO-2- PHENYLACETICACID, CID2778122, 5-Chloro-2-(trifluoromethyl)phenylaceticacid,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.59g/mol
Monoisotopic Mass	238.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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