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Home > Fluorides > 1223105-51-8
1223105-51-8 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-α-methyl-
CAS No: 1223105-51-8 Catalog No: AG00172Y MDL No:
Product Description
Catalog Number:
AG00172Y
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-α-methyl-
CAS Number:
1223105-51-8
Molecular Formula:
C25H21F2NO4
Molecular Weight:
437.4353
IUPAC Name:
(2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
InChI:
InChI=1S/C25H21F2NO4/c1-25(23(29)30,13-19-21(26)11-6-12-22(19)27)28-24(31)32-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-12,20H,13-14H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChI Key:
MRIVYBRWULFPFJ-VWLOTQADSA-N
SMILES:
O=C(N[C@](C(=O)O)(Cc1c(F)cccc1F)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
437.144g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.443g/mol
Monoisotopic Mass:
437.144g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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