AG007LGY

14091-16-8 | 2-Amino-3-(4-(trifluoromethyl)phenyl)propanoic acid

AG007LGY

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CAS Number	14091-16-8
Catalog Number	AG007LGY(AGN-PC-0KKOOP)
Chemical Name	2-Amino-3-(4-(trifluoromethyl)phenyl)propanoic acid
IUPAC Name	2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChI Key	CRFFPDBJLGAGQL-UHFFFAOYSA-N
MDL Number	MFCD00070813
Molecular Formula	C10H10F3NO2
Molecular Weight	233.1871
SMILES	O=C(O)C(N)CC1=CC=C(C(F)(F)F)C=C1
Synonyms	4-(Trifluoromethyl)-dl-phenylalanine, 14091-16-8, 2-amino-3-[4-(trifluoromethyl)phenyl]propanoic Acid, 2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid, 4-trifluoromethyl-dl-phenylalanine, H-D-PHE(4-CF3)-OH, DL-Phenylalanine, 4-(trifluoromethyl)-, AK-25307, (S)-beta-(p-Trifluoromethylphenyl)alanine, ACMC-209vte, (R)-beta-(p-trifluoromethylphenyl)alanine, AC1MCRU9, ACMC-20a84b, SCHEMBL43861, dl-4-trifluoromethylphenylalanine, CTK4C2391, Phenylalanine,4-(trifluoromethyl)-, 3-(4-trifluromethyl phenyl)alanine, KS-00000Z9M, ZX-AP000198, 4195AD, MFCD00070813, PC4562, L-Phenylalanine,4-(trifluoromethyl)-, AKOS000197414, AKOS022172749, AKOS032962967, AB02826, FS-1156, MCULE-9023524713, TRA0073687, AK-59199, AN-10515, SC-69620, SY044829, AX8031881, TR-005300, 4CH-009475, 4CH-023871, FT-0616929, ST51041578, MFCD00070813 (95%), A13011, Y-8798, 091T168, A807706, 2-amino-3-(4-trifluoromethyl-phenyl)-propionic acid, 2-azanyl-3-[4-(trifluoromethyl)phenyl]propanoic acid, I14-29469, 4-(Trifluoromethyl)-L-phenylalanine, 4-(Trifluoromethyl)-D-phenylalanine, D-4-Trifluoromethylphenylalanine, L-4-Trifluoromethylphenylalanine, C10H10F3NO2, CID2777605, 114926-38-4, 114872-99-0, N/A,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.066g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.19g/mol
Monoisotopic Mass	233.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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