AG002S6W

261952-27-6 | Benzeneacetic acid, α-amino-3,4,5-trifluoro-

AG002S6W

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CAS Number	261952-27-6
Catalog Number	AG002S6W(AGN-PC-0WAO9T)
Chemical Name	Benzeneacetic acid, α-amino-3,4,5-trifluoro-
IUPAC Name	2-amino-2-(3,4,5-trifluorophenyl)acetic acid
InChI	InChI=1S/C8H6F3NO2/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7H,12H2,(H,13,14)
InChI Key	SKPOIZISALNBFF-UHFFFAOYSA-N
MDL Number	MFCD01631415
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	O=C(O)C(N)C1=CC(F)=C(F)C(F)=C1
Synonyms	261952-27-6, 3,4,5-Trifluoro-DL-phenylglycine, 2-amino-2-(3,4,5-trifluorophenyl)acetic Acid, C8H6F3NO2, 2-Amino-2-(3,4,5-triflorophenyl)acetic acid, MFCD01631415, (R)-2-Amino-2-(3,4,5-trifluorophenyl)acetic acid, (S)-2-Amino-2-(3,4,5-trifluorophenyl)acetic acid, amino(3,4,5-trifluorophenyl)acetic acid, 1022990-86-8, AC1MCS8E, SCHEMBL13418576, CTK8E9472, DTXSID80380736, JRD-1113, 2-(3,4,5-Trifluorophenyl)glycine, 8702AD, SBB093434, AKOS010056048, AKOS032962905, MCULE-3699557623, PS-10078, TR-039858, ST51041504, C-5929, Benzeneacetic acid, alpha-amino-3,4,5-trifluoro-, CID2777965, 1213483-86-3,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number