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Home > Fluorides > 177966-63-1

177966-63-1

177966-63-1 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-nitro-

CAS No: 177966-63-1 Catalog No: AG0025OB MDL No:MFCD00237029

Product Description

Catalog Number:
AG0025OB
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-nitro-
CAS Number:
177966-63-1
Molecular Formula:
C24H20N2O6
Molecular Weight:
432.4254
MDL Number:
MFCD00237029
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C24H20N2O6/c27-23(28)22(13-15-9-11-16(12-10-15)26(30)31)25-24(29)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/s1
InChI Key:
RZRRJPNDKJOLHI-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
432.132g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
432.432g/mol
Monoisotopic Mass:
432.132g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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