AG00BBLN

243977-23-3 | 2-(4-((Trifluoromethyl)thio)phenyl)acetic acid

AG00BBLN

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CAS Number	243977-23-3
Catalog Number	AG00BBLN(AGN-PC-0KKYJR)
Chemical Name	2-(4-((Trifluoromethyl)thio)phenyl)acetic acid
IUPAC Name	2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI	InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	BFDKCZMYQOSTJG-UHFFFAOYSA-N
MDL Number	MFCD00236351
Molecular Formula	C9H7F3O2S
Molecular Weight	236.2109
SMILES	O=C(O)CC1=CC=C(SC(F)(F)F)C=C1
Synonyms	4-(Trifluoromethylthio)phenylacetic acid, 243977-23-3, 2-(4-((Trifluoromethyl)thio)phenyl)acetic acid, Benzeneacetic acid, 4-[(trifluoromethyl)thio]-, 2-(4-(Trifluoromethylthio)phenyl)acetic acid, (4-trifluoromethylsulfanyl-phenyl)-acetic acid, MFCD00236351, 4 - (Trifluoromethylthio)phenylacetic acid, 2-[4-(trifluoromethylthio)phenyl]acetic acid, Benzeneacetic acid,4-[(trifluoromethyl)thio]-, {4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid, PubChem7296, 4-[(Trifluoromethyl)thio]phenylacetic acid, AC1MCS3E, ACMC-1CHV0, Intermediates-ZCF02659, Intermediates-ZCF02660, 2-[4-(trifluoromethylsulfanyl)phenyl]acetic Acid, SCHEMBL963353, RARECHEM AL BO 0862, CTK7J2341, DTXSID50380703, BFDKCZMYQOSTJG-UHFFFAOYSA-N, EBD15909, JRD-0709, ZINC2560240, ZX-AP011336, 1816AB, BBL102544, CT-414, DT1437, PC8253, SBB066527, STL556347, 4-trifluoromethylthiophenylacetic acid, AKOS005254364, 4-(Trifluoromethylthio)phenylaceticacid, 4-(Trifluoromethylthio)phenylaetic acid, AM62276, AS00503, CM13743, MCULE-3866463350, RTR-000635, VZ28052, (4-trifluoromethylthio)phenylacetic acid, 4-(trifluoromethylthio) phenylacetic acid, AJ-40526, AK109289, BBV-39187418, CC-17042, AB0010954, AX8007413, DB-046435, TR-000635, FT-0644103, ST24039351, ST51041580, 4-TRIFLUOROMETHYLTHIO-PHENYLACETIC ACID, 4-[(Trifluoromethyl)sulphanyl]phenylacetic acid, C-5796, [4-(TRIFLUOROMETHYL)PHENYLTHIO]ACETIC ACID, 2-[4-(trifluoromethylsulfanyl)phenyl]ethanoic acid, A817275, C-13971, 2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid, I04-5218, J-000735, (4-Trifluoromethylsulfanyl-phenyl)-acetic acid; 2-(4-(trifluoromethylthio)phenyl)acetic acid; benzeneacetic acid, 4-[(trifluoromethyl)thio]-, 4- PHENYLACETICACID, C9H7F3O2S, 4-AMINO-2-CHLOROBENZOIC ACID, ACN-055640, CID2777902, 102582-93-4, 4-[(Trifluoromethyl)thio]benzeneacetic acid, 2-(4-((Trifluoromethyl)thio)phenyl)aceticacid, 2-((4-(Trifluoromethyl)phenyl)thio)acetic acid,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.208g/mol
Monoisotopic Mass	236.012g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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