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23214-93-9

23214-93-9 | Acetamide, N-[(1R,2R)-2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,2-dichloro-

CAS No: 23214-93-9 Catalog No: AG002PP7 MDL No:

Product Description

Catalog Number:
AG002PP7
Chemical Name:
Acetamide, N-[(1R,2R)-2-(acetyloxy)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,2-dichloro-
CAS Number:
23214-93-9
Molecular Formula:
C13H14Cl2N2O6
Molecular Weight:
365.1661
IUPAC Name:
[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] acetate
InChI:
InChI=1S/C13H14Cl2N2O6/c1-7(19)23-11(10(6-18)16-13(20)12(14)15)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,18H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChI Key:
WEYAPUCXWINQDH-GHMZBOCLSA-N
SMILES:
OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])OC(=O)C)NC(=O)C(Cl)Cl

Properties

Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.023g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
365.163g/mol
Monoisotopic Mass:
364.023g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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