AG00IA3A

56539-85-6 | (2R)-3,3,3-trifluoro-2-phenylpropanoic acid

AG00IA3A

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CAS Number	56539-85-6
Catalog Number	AG00IA3A(AGN-PC-0A05CH)
Chemical Name	(2R)-3,3,3-trifluoro-2-phenylpropanoic acid
IUPAC Name	3,3,3-trifluoro-2-phenylpropanoic acid
InChI	InChI=1S/C9H7F3O2/c10-9(11,12)7(8(13)14)6-4-2-1-3-5-6/h1-5,7H,(H,13,14)
InChI Key	HQRSIMQXCAWAJB-UHFFFAOYSA-N
MDL Number	MFCD16616839
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
NSC Number	146810
SMILES	O=C(O)C(C1=CC=CC=C1)C(F)(F)F
Synonyms	3,3,3-Trifluoro-2-phenylpropionic Acid, 56539-85-6, 3,3,3-trifluoro-2-phenylpropanoic acid, trifluoromethylphenylacetic acid, NSC146810, AC1L66YG, SCHEMBL195532, AC1Q4I96, CTK1H2708, KS-00000CYX, DTXSID20301869, HQRSIMQXCAWAJB-UHFFFAOYSA-N, MFCD16616839, AKOS023562058, NSC-146810, 3,3,3-Trifluoro-2-phenylpropionicAcid, alpha-(trifluoromethyl)phenylacetic acid, alpha-(Trifluoromethyl)benzeneacetic acid, 3,3,3-trifluoro-2-phenyl-propanoic acid, CS-11881, SY032498, 2-TRIFLUOROMETHYL PHENYLACETIC ACID, MFCD16616839 (95%), (2R)-3,3,3-trifluoro-2-phenylpropanoic acid, AR-1E8307, CID287249, 3038-48-0, 56964-84-2,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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