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2-(2-nitrophenoxy)acetamide

CAS No.:
58562-46-2
Catalog Number:
AG019KBA
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG019KBA
Chemical Name:
2-(2-nitrophenoxy)acetamide
CAS Number:
58562-46-2
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD07101223
IUPAC Name:
2-(2-nitrophenoxy)acetamide
InChI:
InChI=1S/C8H8N2O4/c9-8(11)5-14-7-4-2-1-3-6(7)10(12)13/h1-4H,5H2,(H2,9,11)
InChI Key:
DVCVYHFEWYAJCP-UHFFFAOYSA-N
SMILES:
NC(=O)COc1ccccc1[N+](=O)[O-]
Properties
Complexity:
226  
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:
0.3  
Literature
Title Journal
In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series. BMC structural biology 20110101
Properties