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Home > Fluorides > 149303-38-8
149303-38-8 | β-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 149303-38-8 Catalog No: AG001LK1 MDL No:MFCD00237655
Product Description
Catalog Number:
AG001LK1
Chemical Name:
β-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
149303-38-8
Molecular Formula:
C24H16F5NO4
Molecular Weight:
477.3802
MDL Number:
MFCD00237655
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C24H16F5NO4/c25-18-19(26)21(28)23(22(29)20(18)27)34-17(31)9-10-30-24(32)33-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,30,32)
InChI Key:
HKRARRDDNQDLOY-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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