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Home > Fluorides > 205526-28-9
205526-28-9 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-
CAS No: 205526-28-9 Catalog No: AG002A4U MDL No:MFCD00672556
Product Description
Catalog Number:
AG002A4U
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-
CAS Number:
205526-28-9
Molecular Formula:
C25H20F3NO4
Molecular Weight:
455.4258
MDL Number:
MFCD00672556
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m1/s1
InChI Key:
AJMRBDCOLBEYRZ-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1cccc(c1)C(F)(F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
455.134g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.433g/mol
Monoisotopic Mass:
455.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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