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Home > Nitro Compounds > 294856-47-6
294856-47-6 | 5-(4-Nitrophenoxy)-1,3-benzodioxole
CAS No: 294856-47-6 Catalog No: AG00I5GC MDL No:MFCD07658431
Product Description
Catalog Number:
AG00I5GC
Chemical Name:
5-(4-Nitrophenoxy)-1,3-benzodioxole
CAS Number:
294856-47-6
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD07658431
IUPAC Name:
5-(4-nitrophenoxy)-1,3-benzodioxole
InChI:
InChI=1S/C13H9NO5/c15-14(16)9-1-3-10(4-2-9)19-11-5-6-12-13(7-11)18-8-17-12/h1-7H,8H2
InChI Key:
COESAXSVDFHOHC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc2c(c1)OCO2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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