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Home > Nitro Compounds > 58562-46-2
58562-46-2 | 2-(2-nitrophenoxy)acetamide
CAS No: 58562-46-2 Catalog No: AG019KBA MDL No:MFCD07101223
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 |
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