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Home > Nitro Compounds > 88356-11-0
88356-11-0 | Benzene, 1-(diethoxymethyl)-2-nitro-
CAS No: 88356-11-0 Catalog No: AG0046RT MDL No:
Product Description
Catalog Number:
AG0046RT
Chemical Name:
Benzene, 1-(diethoxymethyl)-2-nitro-
CAS Number:
88356-11-0
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
1-(diethoxymethyl)-2-nitrobenzene
InChI:
InChI=1S/C11H15NO4/c1-3-15-11(16-4-2)9-7-5-6-8-10(9)12(13)14/h5-8,11H,3-4H2,1-2H3
InChI Key:
GXYWWDNGNXXZLR-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1[N+](=O)[O-])OCC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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