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63218-14-4

63218-14-4 | 2-(4-nitrophenoxy)acetamide

CAS No: 63218-14-4 Catalog No: AG00JGYV MDL No:MFCD00466100

Product Description

Catalog Number:
AG00JGYV
Chemical Name:
2-(4-nitrophenoxy)acetamide
CAS Number:
63218-14-4
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00466100
IUPAC Name:
2-(4-nitrophenoxy)acetamide
InChI:
InChI=1S/C8H8N2O4/c9-8(11)5-14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2,(H2,9,11)
InChI Key:
IYJAUHBAFQALLE-UHFFFAOYSA-N
SMILES:
NC(=O)COc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

Title Journal
2-(4-Iodo-phen-oxy)acetamide. Acta crystallographica. Section E, Structure reports online 20110801

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