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Home > Fluorides > 1235005-44-3
1235005-44-3 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-
CAS No: 1235005-44-3 Catalog No: AG000KP8 MDL No:
Product Description
Catalog Number:
AG000KP8
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-
CAS Number:
1235005-44-3
Molecular Formula:
C24H19F2NO4
Molecular Weight:
423.4088
IUPAC Name:
(2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H19F2NO4/c25-20-10-5-11-21(26)18(20)12-22(23(28)29)27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChI Key:
WNKYWXMLHBTJJW-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c(F)cccc1F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
423.128g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.416g/mol
Monoisotopic Mass:
423.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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