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Home > Fluorides > 205445-54-1
205445-54-1 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4,5-trifluoro-
CAS No: 205445-54-1 Catalog No: AG002A31 MDL No:MFCD00797558
Product Description
Catalog Number:
AG002A31
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4,5-trifluoro-
CAS Number:
205445-54-1
Molecular Formula:
C14H16F3NO4
Molecular Weight:
319.2763
MDL Number:
MFCD00797558
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3,4,5-trifluorophenyl)propanoic acid
InChI:
InChI=1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-10(12(19)20)6-7-4-8(15)11(17)9(16)5-7/h4-5,10H,6H2,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChI Key:
CWPLICWOIFEQMR-JTQLQIEISA-N
SMILES:
OC(=O)[C@H](Cc1cc(F)c(c(c1)F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.28g/mol
Monoisotopic Mass:
319.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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