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Home > Nitro Compounds > 189564-60-1
189564-60-1 | Benzene, 2-ethoxy-1,3-dimethoxy-5-nitro-
CAS No: 189564-60-1 Catalog No: AG002DQK MDL No:
Product Description
Catalog Number:
AG002DQK
Chemical Name:
Benzene, 2-ethoxy-1,3-dimethoxy-5-nitro-
CAS Number:
189564-60-1
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
IUPAC Name:
2-ethoxy-1,3-dimethoxy-5-nitrobenzene
InChI:
InChI=1S/C10H13NO5/c1-4-16-10-8(14-2)5-7(11(12)13)6-9(10)15-3/h5-6H,4H2,1-3H3
InChI Key:
OHDURDXCCGUNOA-UHFFFAOYSA-N
SMILES:
CCOc1c(OC)cc(cc1OC)[N+](=O)[O-]
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.216g/mol
Monoisotopic Mass:
227.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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