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Home > Fluorides > 198545-85-6
198545-85-6 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,3,4,5,6-pentafluoro-
CAS No: 198545-85-6 Catalog No: AG002BLU MDL No:MFCD00672558
Product Description
Catalog Number:
AG002BLU
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,3,4,5,6-pentafluoro-
CAS Number:
198545-85-6
Molecular Formula:
C24H16F5NO4
Molecular Weight:
477.3802
MDL Number:
MFCD00672558
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
InChI:
InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)/t17-/m1/s1
InChI Key:
DLOGILOIJKBYKA-QGZVFWFLSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
477.1g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.387g/mol
Monoisotopic Mass:
477.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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