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Home > Nitro Compounds > 114426-30-1
114426-30-1 | 1,3-Benzodioxole, 4-ethoxy-6-nitro-
CAS No: 114426-30-1 Catalog No: AG000BB1 MDL No:
Product Description
Catalog Number:
AG000BB1
Chemical Name:
1,3-Benzodioxole, 4-ethoxy-6-nitro-
CAS Number:
114426-30-1
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
4-ethoxy-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C9H9NO5/c1-2-13-7-3-6(10(11)12)4-8-9(7)15-5-14-8/h3-4H,2,5H2,1H3
InChI Key:
KVFIQUSVDUMCON-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc2c1OCO2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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