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Home > Fluorides > 1270296-84-8
1270296-84-8 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,4,6-trifluoro-
CAS No: 1270296-84-8 Catalog No: AG000WLD MDL No:
Product Description
Catalog Number:
AG000WLD
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,4,6-trifluoro-
CAS Number:
1270296-84-8
Molecular Formula:
C24H18F3NO4
Molecular Weight:
441.3992
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,4,6-trifluorophenyl)propanoic acid
InChI:
InChI=1S/C24H18F3NO4/c25-13-9-20(26)18(21(27)10-13)11-22(23(29)30)28-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,22H,11-12H2,(H,28,31)(H,29,30)
InChI Key:
QXIMGLDNBIRLKE-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c(F)cc(cc1F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.119g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.406g/mol
Monoisotopic Mass:
441.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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