(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4,5-trifluorophenyl)propanoic acid


Chemical Name: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4,5-trifluorophenyl)propanoic acid
CAS Number: 959579-81-8
Product Number: AG00IJMS(AGN-PC-0WAMF2)
Synonyms:
MDL No: MFCD06659142
Molecular Formula: C24H18F3NO4
Molecular Weight: 441.3992

Identification/Properties


Computed Properties
Molecular Weight:
441.406g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
441.119g/mol
Monoisotopic Mass:
441.119g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
658
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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