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Home > Fluorides > 198545-59-4
198545-59-4 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-
CAS No: 198545-59-4 Catalog No: AG002BLX MDL No:MFCD00672551
Product Description
Catalog Number:
AG002BLX
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-
CAS Number:
198545-59-4
Molecular Formula:
C24H19F2NO4
Molecular Weight:
423.4088
MDL Number:
MFCD00672551
IUPAC Name:
(2R)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChI Key:
IHSYIDJNVXPQRM-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(c(c1)F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
625
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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