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Home > Fluorides > 125043-04-1
125043-04-1 | D-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 125043-04-1 Catalog No: AG000N15 MDL No:MFCD00153372
Product Description
Catalog Number:
AG000N15
Chemical Name:
D-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
125043-04-1
Molecular Formula:
C24H16F5NO4
Molecular Weight:
477.3802
MDL Number:
MFCD00153372
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m1/s1
InChI Key:
CJXZXBGKOSXBFR-LLVKDONJSA-N
SMILES:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)C)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:
1
Isotope Atom Count:
0
Molecular Weight:
477.387g/mol
Monoisotopic Mass:
477.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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