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177966-58-4

177966-58-4 | D-Phenylalanine, 3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS No: 177966-58-4 Catalog No: AG0025OF MDL No:MFCD00273472

Product Description

Catalog Number:
AG0025OF
Chemical Name:
D-Phenylalanine, 3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
177966-58-4
Molecular Formula:
C24H19Cl2NO4
Molecular Weight:
456.3180
MDL Number:
MFCD00273472
IUPAC Name:
(2R)-3-(3,4-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H19Cl2NO4/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:
QNVHCYWPXIGFGN-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl)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:
455.069g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
456.319g/mol
Monoisotopic Mass:
455.069g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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