AG003C8F

82317-82-6 | Boc-D-Phe(3-CF3)-OH

AG003C8F

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CAS Number	82317-82-6
Catalog Number	AG003C8F(AGN-PC-0OIO7N)
Chemical Name	Boc-D-Phe(3-CF3)-OH
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChI Key	SHMWDGGGZHFFRC-LLVKDONJSA-N
MDL Number	MFCD00672525
Molecular Formula	C15H18F3NO4
Molecular Weight	333.3029
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC(C(F)(F)F)=C1
Synonyms	82317-82-6, Boc-D-Phe(3-CF3)-OH, Boc-3-(trifluoromethyl)-D-phenylalanine, BOC-D-3-TRIFLUOROMETHYLPHE, Boc-D-3-Trifluoromethylphenylalanine, (R)-2-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid, Boc-3-Trifluoromethyl-D-Phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, MFCD00672524, (2R)-2-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, AK163670, boc-d-phe(m-cf3)-oh, rarechem bk pt 0137, AC1MC51R, SCHEMBL3556619, CTK8C5726, KS-00000KRB, (2S)-2-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, ZINC2567678, ZX-AP007357, KM2112, PC0043, AKOS025117413, AB06802, AC-9977, AM83493, CB-1283, BOC-D-PHE(3-TRIFLUOROMETHYL)-OH, AN-31715, AN-36169, AS-15596, CC-25013, Q001, N-Boc-3-(trifluoromethyl)-D-phenylalanine, AB0017333, AX8035010, TL8006158, TR-025744, FT-0613946, N-(boc)-3-(trifluoromethyl)-d-phenylalanine, 17T826, 3-(trifluoromethyl)-d-phenylalanine, boc protected, Boc-D-Phe(3-CF3)-OH, >=98.0% (TLC), C-20115, tert-Butoxycarbonyl-D-3-trifluoromethylphenylalanine, 3-(Trifluoromethyl)-L-phenylalanine, N-BOC protected, n-alpha-t-butoxycarbonyl-d-(3-trifluoromethylphenyl)alanine, (2R)-2-(tert-butoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propionic acid, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, (R)-2-TERT-BUTOXYCARBONYLAMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, C15H18F3NO4, Boc-L-3-Trifluoromethylphenylalanine, Boc-3-(trifluoromethyl)-L-phenylalanine, CID2736197, 142995-31-1, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic Acid,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	333.119g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	333.307g/mol
Monoisotopic Mass	333.119g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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